SCHEMBL3556750

SCHEMBL3556750

COC(=O)c1cscc1NC(=O)COc1ccc(-c2ccccc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
BDKRB1 P46663 5/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL3558746 0.90 NPC1 (0.44) ALDH1A1KMT2ANPC1HPGDCXCR1
SCHEMBL3560676 0.88 MAPK10 (0.46) MAPK10MAPK8MAPK9ALDH1A1HSD17B10
SCHEMBL3554518 0.88 ALDH1A1 (0.47) MAPK10MAPK8MAPK9ALDH1A1HSD17B10
SCHEMBL3561736 0.87 CXCR1 (0.43) MAPK10MAPK8MAPK9ALDH1A1HSD17B10
SCHEMBL3554946 0.80 KDM4E (0.47) ALDH1A1HSD17B10TSHRKMT2ANPC1
SCHEMBL3561313 0.80 KDM4E (0.58) MAPK10MAPK8MAPK9ALDH1A1HSD17B10
SCHEMBL5306189 0.80 HCAR2 (0.53) MAPK10MAPK8MAPK9ALDH1A1HSD17B10
SCHEMBL3555411 0.78 TRPM4 (0.49) ALDH1A1TSHRNPC1HPGDCXCR1
SCHEMBL14609704 0.77 NPC1 (0.43) MAPK10MAPK8MAPK9ALDH1A1KMT2A
SCHEMBL3554671 0.76 ALDH1A1 (0.62) MAPK10MAPK8MAPK9ALDH1A1HSD17B10

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 MAPK10 2360/4885MAPK8 2450/4885MAPK9 3143/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MAPK10 2360/4885MAPK8 2450/4885MAPK9 3143/4885

“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.