SCHEMBL3554518

SCHEMBL3554518

COC(=O)c1cscc1NC(=O)COc1ccc(-c2ccccc2OC)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
MAPK10 P53779 2/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.42
WNT3A P56704 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BDKRB1 P46663 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL3554946 0.92 KDM4E (0.47) ALDH1A1TSHRHSD17B10MAPTKDM4E
SCHEMBL3556750 0.88 MAPK10 (0.46) ALDH1A1TSHRHSD17B10MAPTMAPK10
SCHEMBL3560676 0.88 MAPK10 (0.46) ALDH1A1TSHRHSD17B10MAPK10MAPK8
SCHEMBL3562559 0.88 TSHR (0.55) ALDH1A1TSHRHSD17B10MAPTMAPK10
SCHEMBL3561736 0.85 CXCR1 (0.43) ALDH1A1TSHRHSD17B10MAPTMAPK10
Hydrochloric Acid SCHEMBL5696413 0.82 HCAR2 (0.56) ALDH1A1TSHRHSD17B10MAPTMAPK10
SCHEMBL3561313 0.80 KDM4E (0.58) ALDH1A1TSHRHSD17B10MAPTMAPK10
SCHEMBL5307245 0.80 KDM4E (0.52) ALDH1A1HSD17B10MAPK10MAPK8MAPK9
SCHEMBL3551053 0.80 HCAR2 (0.56) ALDH1A1TSHRHSD17B10MAPTMAPK10
SCHEMBL5302972 0.79 SMN1; SMN2 (0.50) ALDH1A1TSHRHSD17B10MAPTMAPK10

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 5 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 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 ALDH1A1 1492/4885TSHR 46/4885HSD17B10 2765/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 ALDH1A1 1492/4885TSHR 46/4885HSD17B10 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.