SCHEMBL477610

SCHEMBL477610

O=C(Cl)c1cccc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.51
▸ AKR1C2 P52895 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.36
▸ CES2 O00748 3/20 0.36
▸ CES1 P23141 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CA12 O43570 1/20 0.32

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
SCHEMBL1169066 0.82 AKR1C3 (0.72) AKR1C3AKR1C2TSHRPTGS1PTGS2
SCHEMBL29495930 0.80 AKR1C3 (0.51) AKR1C3AKR1C2ALDH1A1PTGS1PTGS2
SCHEMBL1195462 0.80 AKR1C3 (0.51) AKR1C3AKR1C2ALDH1A1PTGS1PTGS2
SCHEMBL20560610 0.78 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL27510 0.78 ALDH1A1 (0.59) ALDH1A1TSHRHDAC6CES2CES1
SCHEMBL28967024 0.76 AKR1C3 (0.47) AKR1C3AKR1C2ALDH1A1PTGS1PTGS2
SCHEMBL1194372 0.76 GSK3B (0.52) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL30782680 0.76 ALDH1A1 (0.58) AKR1C3AKR1C2ALDH1A1PTGS1PTGS2
Hydrochloric Acid SCHEMBL8084573 0.75 ALDH1A1 (0.57) ALDH1A1TSHRHDAC6CES2CES1
Bromide SCHEMBL31026552 0.75 ALDH1A1 (0.57) ALDH1A1TSHRHDAC6CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450280-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-10450280-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
EP-3250565-B1 TETRAZOLONES AS CARBOXYLIC ACID BIOISOSTERES RIGEL PHARMACEUTICALS INC (US) 2019-07-03 — — EP disclosed
EP-3250565-B1 TETRAZOLONES AS CARBOXYLIC ACID BIOISOSTERES RIGEL PHARMACEUTICALS INC (US) 2019-07-03 — — EP disclosed
US-9988395-B2 Antiparasitic compositions and methods utilizing substituted 5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridine derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-06-05 — — US disclosed
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2018-01-04 — — US disclosed
US-20170349606-A1 ANTIPARASITIC COMPOSITIONS AND METHODS UTILIZING SUBSTITUTED 5,5,7,7-TETRAMETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C] PYRIDINE DERIVATIVES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-07 — — US disclosed
EP-3250565-A1 TETRAZOLONES AS CARBOXYLIC ACID BIOISOSTERES Rigel Pharmaceuticals, Inc. (US) 2017-12-06 — — EP disclosed
US-9701647-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2017-07-11 — — US disclosed
US-9701647-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2017-07-11 — — US disclosed
US-20160213648-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2016-07-28 — — US disclosed
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 — — US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 — — EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 — — US disclosed
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 — — EP disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 — — US disclosed
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 — — WO disclosed
EP-2219629-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-08-25 — — EP disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 — — US disclosed
WO-2009048936-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-16 — — 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 AKR1C3 898/4885AKR1C2 1083/4885ALDH1A1 926/4885
US-10450280-B2 Tetrazolones as a carboxylic acid bioisosteres GLS, CYP11B2, GLS2 AKR1C3 389/4885AKR1C2 485/4885ALDH1A1 515/4885
US-20170349606-A1 ANTIPARASITIC COMPOSITIONS AND METHODS UTILIZING SUBSTITUTED 5,5,7,7-TETRAMETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C] PYRIDINE DERIVATIVES COX5B, COX6C, CYCS AKR1C3 675/4885AKR1C2 1857/4885ALDH1A1 2095/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 AKR1C3 1025/4885AKR1C2 1105/4885ALDH1A1 660/4885
US-20160213648-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 AKR1C3 389/4885AKR1C2 485/4885ALDH1A1 515/4885
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 AKR1C3 389/4885AKR1C2 485/4885ALDH1A1 515/4885

“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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