Doxycycline Anhydrous

Doxycycline Anhydrous

SCHEMBL2612783

C[C@@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Doxycycline Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP7 known ✓ P09237 1/20 0.69
▸ MMP8 known ✓ P22894 1/20 0.69
▸ MMP13 known ✓ P45452 1/20 0.69
▸ TDP1 Q9NUW8 10/20 0.70
▸ USP2 O75604 6/20 0.70
▸ HSD17B10 Q99714 6/20 0.70
▸ HIF1A Q16665 3/20 0.70
▸ TSHR P16473 1/20 0.70
▸ KDM4E B2RXH2 9/20 0.69
▸ L3MBTL1 Q9Y468 7/20 0.69
▸ MMP2 P08253 1/20 0.69
▸ MMP3 P08254 1/20 0.69
▸ ADORA1 P30542 1/20 0.69
▸ ADRA1A P35348 1/20 0.69
▸ RECQL P46063 7/20 0.64
▸ PLA2G1B P04054 1/20 0.64
▸ ATG4B Q9Y4P1 1/20 0.64
▸ HPGD P15428 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Doxycycline Anhydrous SCHEMBL16726317 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL12532766 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL12011108 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL3156 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL12356691 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL6627427 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL15249681 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL19270311 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL20716693 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR
Doxycycline Anhydrous SCHEMBL9574618 1.00 TDP1 (0.70) TDP1USP2HSD17B10HIF1ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113237965-A Method for detecting related substances of doxycycline hydrochloride for injection 海南通用康力制药有限公司 2021-08-10 — — CN disclosed
US-10543298-B2 Salts of tetracyclines HOVIONE SCIENTIA LIMITED (IE) 2020-01-28 — — US disclosed
US-20180016225-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. 2018-01-18 — — US disclosed
US-20180016225-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. 2018-01-18 — — US disclosed
WO-2017089809-A1 SALTS OF TETRACYCLINES HOVIONE SCIENTIA LIMITED (IE) 2017-06-01 — — WO disclosed
US-9562003-B2 Methods of using substituted tetracycline compounds to modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2017-02-07 — — US disclosed
US-9562003-B2 Methods of using substituted tetracycline compounds to modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2017-02-07 — — US disclosed
US-20150141381-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. (US) 2015-05-21 — — US disclosed
US-20150141381-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. (US) 2015-05-21 — — US disclosed
US-8486921-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-16 — — US disclosed
US-20120245130-A1 Methods of Using Substituted Tetracycline Compounds to Modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2012-09-27 — — US disclosed
US-20120245130-A1 Methods of Using Substituted Tetracycline Compounds to Modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2012-09-27 — — US disclosed
US-8173624-B2 Methods of using substituted tetracycline compounds to modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2012-05-08 — — US disclosed
US-8173624-B2 Methods of using substituted tetracycline compounds to modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2012-05-08 — — US disclosed
US-20120101071-A1 SubstitutedTetracycline Compounds for the Treatment of Malaria PARATEK PHARMACEUTICALS, INC. (US) 2012-04-26 — — US disclosed
US-20120101071-A1 SubstitutedTetracycline Compounds for the Treatment of Malaria PARATEK PHARMACEUTICALS, INC. (US) 2012-04-26 — — US disclosed
US-8088820-B2 administering tetracycline derivatives as antimalarial agents PARATEK PHARMACEUTICALS, INC. (US) 2012-01-03 — — US disclosed
US-8088820-B2 administering tetracycline derivatives as antimalarial agents PARATEK PHARMACEUTICALS, INC. (US) 2012-01-03 — — US disclosed
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 — — US disclosed
WO-2007117639-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-10-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101071-A1 SubstitutedTetracycline Compounds for the Treatment of Malaria TET1, DHFR, TET3 MMP7 139/4885MMP8 1425/4885MMP13 798/4885
US-10543298-B2 Salts of tetracyclines OTC, ODC1, MLEC MMP7 242/4885MMP8 457/4885MMP13 168/4885
US-20120245130-A1 Methods of Using Substituted Tetracycline Compounds to Modulate RNA NSUN3, NSUN2, RNMT MMP7 1455/4885MMP8 1918/4885MMP13 1904/4885
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF CCNE1, CCNE2, CCNT2 MMP7 2656/4885MMP8 2798/4885MMP13 1527/4885
US-20180016225-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES TBCA, TUBB6, TUBB MMP7 386/4885MMP8 121/4885MMP13 757/4885
US-20150141381-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES TBCA, TUBB6, TUBB MMP7 386/4885MMP8 121/4885MMP13 757/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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