Doxycycline Anhydrous

Doxycycline Anhydrous

SCHEMBL2221981

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.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.O.O

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 0.70
MMP8 known ✓ P22894 1/20 0.70
MMP13 known ✓ P45452 1/20 0.70
MMP2 P08253 1/20 0.70
MMP3 P08254 1/20 0.70
ADORA1 P30542 1/20 0.70
ADRA1A P35348 1/20 0.70
TDP1 Q9NUW8 10/20 0.69
USP2 O75604 6/20 0.69
HSD17B10 Q99714 6/20 0.69
HIF1A Q16665 3/20 0.69
TSHR P16473 1/20 0.69
KDM4E B2RXH2 9/20 0.68
L3MBTL1 Q9Y468 7/20 0.68
RECQL P46063 7/20 0.65
PLA2G1B P04054 1/20 0.65
ATG4B Q9Y4P1 1/20 0.65
HPGD P15428 7/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50

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 SCHEMBL3155 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL29545414 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL41884 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL11417262 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL3680869 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL41883 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL28250743 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL11417256 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL8683380 1.00 MMP2 (0.70) MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL497163 0.99 TDP1 (0.69) MMP2MMP3MMP7MMP8ADORA1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102813665-A Composition for synergy of doxycycline antibacterial activity and application thereof SHANGHAI RUICHUANG MEDICAL TECHNOLOGY CO LTD 2012-12-12 CN claimed
WO-2021074598-A1 COMBINATION OF ZIDOVUDINE WITH A TETRACYCLINE ANTIBIOTIC HELPERBY THERAPEUTICS LIMITED (GB) 2021-04-22 WO disclosed
CN-111818927-A Minocycline for treating inflammatory skin diseases 雷迪博士实验室有限公司 2020-10-23 CN disclosed
EP-3200749-B1 COMPOSITIONS FOR THE TREATMENT OF PERI-IMPLANTITIS POLYPID LTD (IL) 2020-09-02 EP disclosed
US-10758639-B2 Methods for the treatment of peri-implantitis POLYPID LTD. (IL) 2020-09-01 US disclosed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
EP-3655104-A1 AN OSTEOADSORPTIVE FLUOROGENIC SUBSTRATE OF CATHEPSIN K FOR IMAGING OSTEOCLAST ACTIVITY AND MIGRATION The Regents of the University of California (US) 2020-05-27 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
WO-2019018238-A1 AN OSTEOADSORPTIVE FLUOROGENIC SUBSTRATE OF CATHEPSIN K FOR IMAGING OSTEOCLAST ACTIVITY AND MIGRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-24 WO disclosed
CN-109010916-A Containing the mouldable preparation of aerobic sterol in acellular tissue matrices 华沙整形外科股份有限公司 2018-12-18 CN disclosed
US-20080021040-A1 Method and composition for treating periodontal disease REGENA THERAPEUTICS, LC 2008-01-24 US disclosed
US-7241746-B2 Method and composition for treating periodontal disease REGENA THERAPEUTICS, LC (US) 2007-07-10 US disclosed
CN-1883461-A Sustained-releasing oral mucosa medicinal film HE YUAN (CN) 2006-12-27 CN disclosed
WO-2005023193-A2 METHODS OF TREATING ENDOMETRIOSIS INTERLEUKIN GENETICS, INC. (US) 2005-03-17 WO disclosed
WO-2005013900-A2 METHOD AND COMPOSITION FOR TREATING PERIDONTAL DISEASE REGENA THERAPEUTICS LC (US) 2005-02-17 WO disclosed
US-20050032720-A1 Method and composition for treating peridontal disease REGENACORP, INC. 2005-02-10 US disclosed
US-20040014024-A1 Screening assay for antagonists of FGFR-mediated malignant cell transformation and tumor formation YAYON AVNER (IL) 2004-01-22 US disclosed
EP-1164838-A4 SCREENING ASSAY FOR ANTAGONISTS OF FGFR-MEDIATED MALIGNANT CELL TRANSFORMATION AND TUMOR FORMATION YEDA RES & DEV (IL) 2002-06-19 EP disclosed
EP-1164838-A2 SCREENING ASSAY FOR ANTAGONISTS OF FGFR-MEDIATED MALIGNANT CELL TRANSFORMATION AND TUMOR FORMATION YEDA RESEARCH AND DEVELOPMENT CO., Ltd. (IL) 2002-01-02 EP disclosed
WO-2000046343-A2 SCREENING ASSAY FOR ANTAGONISTS OF FGFR-MEDIATED MALIGNANT CELL TRANSFORMATION AND TUMOR FORMATION YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-08-10 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 (2 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-20050032720-A1 Method and composition for treating peridontal disease DNM2, CD68, PGF MMP7 145/4885MMP8 169/4885MMP13 182/4885
US-20080021040-A1 Method and composition for treating periodontal disease CD68, AMPD2, PGF MMP7 487/4885MMP8 190/4885MMP13 439/4885

“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.