SCHEMBL472558

SCHEMBL472558

OCc1ccc(C(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
VHL P40337 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
LTA4H P09960 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38

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
SCHEMBL18823835 0.80 TSHR (0.40) TSHRPRSS1PRSS2PRSS3VHL
SCHEMBL29570582 0.80 PGK1 (0.35) PGK1PGK2DAOMRGPRX4PTGS1
SCHEMBL20187499 0.80 CA2 (0.52) TSHRCA12CA1CA2CA4
SCHEMBL9396256 0.78 TSHR (0.48) TSHRPRSS1PRSS2PRSS3VHL
SCHEMBL15045345 0.78 TSHR (0.48) TSHRPRSS1PRSS2PRSS3VHL
SCHEMBL28265171 0.77 CA2 (0.46) LTA4HCA2PGK1PGK2
SCHEMBL662302 0.76 PGK1 (0.38) PGK1PGK2DAOKIF11MRGPRX4
SCHEMBL41775 0.76 TSHR (0.67) TSHRPRSS1PRSS2PRSS3VHL
SCHEMBL1659677 0.76 DAO (0.41) TSHRPGK1PGK2DAOMRGPRX4
SCHEMBL14533503 0.76 TSHR (0.46) TSHRPRSS1PRSS2PRSS3VHL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980401-B1 PURINE DERIVATIVES, AS NR2B NEGATIVE MODULATORS AND THE USE THEREOF AS MEDICAMENT, IN PARTICULAR FOR TREATING DEPRESSIVE DISORDERS BOEHRINGER INGELHEIM INT (DE) 2026-01-28 EP disclosed
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2026-01-20 US disclosed
US-20240279215-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED 2024-08-22 US disclosed
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2024-06-27 US disclosed
CN-113950478-B Purine derivatives as NR2B negative modulators and their use as medicaments, in particular for the treatment of depressive disorders 勃林格殷格翰国际有限公司 2024-02-02 CN disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
CN-111344291-B Imidazopyridine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2023-05-05 CN disclosed
US-11583532-B2 Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-21 US disclosed
US-11583532-B2 Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-21 US disclosed
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
CN-101835762-A 2-aminooxazole derivatives as TRPV antagonists useful for the treatment of pain ABBOTT LAB 2010-09-15 CN disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 WO disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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 (7 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP TSHR 3729/4885PRSS1 1282/4885PRSS2 2977/4885
US-20240279215-A1 NAMPT MODULATORS NAMPT, SIRT1, NNT TSHR 1495/4885PRSS1 2819/4885PRSS2 3588/4885
US-11583532-B2 Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (GOAT) inhibitors MBOAT4, GIPR, MTTP TSHR 16/4885PRSS1 1802/4885PRSS2 1492/4885
US-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 TSHR 828/4885PRSS1 1290/4885PRSS2 1556/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 TSHR 413/4885PRSS1 3374/4885PRSS2 4215/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B TSHR 1412/4885PRSS1 2995/4885PRSS2 3756/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B TSHR 1412/4885PRSS1 2995/4885PRSS2 3756/4885

“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.