SCHEMBL3554946

SCHEMBL3554946

COc1ccccc1-c1ccc(OCC(=O)Nc2cscc2C(=O)O)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TRPM4 Q8TD43 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
WNT3A P56704 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
DHODH Q02127 2/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL3554518 0.92 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL5696413 0.88 HCAR2 (0.56) KDM4EALDH1A1HSD17B10HCAR2MEN1
SCHEMBL3551053 0.88 HCAR2 (0.56) KDM4EALDH1A1HSD17B10HCAR2MEN1
SCHEMBL3555411 0.86 TRPM4 (0.49) ALDH1A1TRPM4HCAR2SMN1; SMN2NPC1
SCHEMBL3558746 0.86 NPC1 (0.44) KDM4EALDH1A1TRPM4HCAR2MEN1
SCHEMBL5302972 0.83 SMN1; SMN2 (0.50) KDM4EALDH1A1HSD17B10TRPM4MEN1
SCHEMBL3555372 0.82 CXCR1 (0.47) KDM4EALDH1A1TRPM4HCAR2MEN1
SCHEMBL3556750 0.80 MAPK10 (0.46) ALDH1A1HSD17B10KMT2ASMN1; SMN2NPC1
SCHEMBL3560676 0.80 MAPK10 (0.46) KDM4EALDH1A1HSD17B10TRPM4KMT2A
SCHEMBL3562559 0.80 TSHR (0.55) KDM4EALDH1A1HSD17B10HCAR2MEN1

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-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US claimed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US claimed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 US claimed
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US disclosed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 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 (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-20070072873-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 KDM4E 2421/4885ALDH1A1 1492/4885HSD17B10 2765/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 KDM4E 2421/4885ALDH1A1 1492/4885HSD17B10 2765/4885

“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.