SCHEMBL21045937

SCHEMBL21045937

COc1c(O)cnc(C(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.39
KMO O15229 2/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
HTT P42858 1/20 0.33
GPR35 Q9HC97 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL28180665 0.84 AGXT (0.45) KMOMAPTTDP1KDM4EHSD17B10
SCHEMBL22890254 0.81 HSD17B10 (0.41) TPMTKMOMAPTKDM4EHSD17B10
SCHEMBL29771512 0.81 HSD17B10 (0.41) TPMTKMOMAPTKDM4EHSD17B10
SCHEMBL22889708 0.77 IMPDH2 (0.38) HPGDGPR35
SCHEMBL6874835 0.75 TDP1 (0.38) MAPTTDP1KDM4EHSD17B10ALDH1A1
SCHEMBL28222305 0.74 HCAR2 (0.40) KMOTDP1KDM4EHSD17B10ALDH1A1
SCHEMBL26260299 0.74 HSD17B10 (0.41) TPMTKMOMAPTKDM4EHSD17B10
SCHEMBL21045691 0.73 XDH (0.38)
SCHEMBL2981405 0.72 NPSR1 (0.41) TPMTKMOMAPTTDP1KDM4E
SCHEMBL21795751 0.70 KDM4E (0.43) KMOKDM4EALDH1A1MEN1CYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
EP-3700902-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2023-03-08 EP disclosed
EP-3786160-B1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-07-13 EP disclosed
US-20210163449-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-03 US disclosed
EP-3786160-A1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-03-03 EP disclosed
US-10889568-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-12 US disclosed
US-10800757-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-13 US disclosed
EP-3700902-A1 PYRIDINE CARBONYL DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-09-02 EP disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 US disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 US 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 (5 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-20190169168-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 TPMT 1539/4885KMO 1410/4885MAPT 2284/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 TPMT 1544/4885KMO 1386/4885MAPT 2263/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 TPMT 1539/4885KMO 1410/4885MAPT 2284/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 TPMT 1539/4885KMO 1410/4885MAPT 2284/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 TPMT 1539/4885KMO 1410/4885MAPT 2284/4885

“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.