SCHEMBL187610

SCHEMBL187610

COC(=O)c1ccc(C2CN(C(=O)O)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.52
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
ATM Q13315 2/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL31386184 0.87 GRIN2B (0.48) GRIN2BALDH1A1HSD17B10TSHRKDM4E
SCHEMBL25004299 0.83 HSD17B10 (0.54) GRIN2BALDH1A1HSD17B10TSHRKDM4E
SCHEMBL15952966 0.83 CA12 (0.50) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL8053119 0.81 PDE4B (0.48) GRIN2BALDH1A1HSD17B10TSHRKDM4E
SCHEMBL5548168 0.80 PDE4B (0.57) GRIN2BALDH1A1HSD17B10TSHRKDM4E
SCHEMBL16874664 0.80 ALDH1A1 (0.55) GRIN2BALDH1A1TSHRHPGDGAA
SCHEMBL12488363 0.80 HDAC1 (0.56) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL16684739 0.80 HDAC8 (0.61) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL21485421 0.79 CHRNB2 (0.51) GRIN2BALDH1A1HSD17B10TSHRHPGD
SCHEMBL25005730 0.79 KDM4E (0.47) GRIN2BALDH1A1HSD17B10TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401265-B1 DERIVATIVES OF 1-PYRI(MID)IN-2-YL-PYRAZOLE-4-CARBOXYLIC ACID WHICH ARE USEFUL FOR THERAPY OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
CN-103209979-B therapeutic agent 976 ASTRAZENECA AB (SE) 2016-02-10 CN disclosed
US-8507512-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-08-13 US disclosed
EP-2401265-A2 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed
WO-2010099054-A2 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO disclosed
US-20100216764-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2010-08-26 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 (1 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-20100216764-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A1, GUCY1A2 GRIN2B 2978/4885ALDH1A1 1356/4885HSD17B10 2171/4885

“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.