SCHEMBL3563299

SCHEMBL3563299

COC(=O)c1cscc1NC(=O)CCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.55
MAPK8 P45983 1/20 0.55
MAPK9 P45984 1/20 0.55
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 9/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
HSD17B10 Q99714 3/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL3551017 0.88 MAPK10 (0.53) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL10076110 0.85 MAPK10 (0.56) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL8357991 0.84 MAPK10 (0.55) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL19554555 0.84 MAPK10 (0.55) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL11817902 0.83 MAPK8 (0.57) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL11223756 0.83 MAPK10 (0.54) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL10472319 0.82 ALDH1A1 (0.48) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL8358025 0.80 MAPK10 (0.52) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL10729145 0.80 MAPK8 (0.44) MAPK10MAPK8MAPK9KMT2AKDM4E
SCHEMBL6220756 0.80 MAPT (0.51) MAPK10MAPK8MAPK9KMT2AKDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268063-B Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-02-29 CN disclosed
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US disclosed
CN-101268063-A Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2008-09-17 CN disclosed
US-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
EP-1853579-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-14 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
WO-2006085113-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-17 WO disclosed
US-4359420-A HYPOTENSIVE AGENT, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1982-11-16 US disclosed
US-4346032-A ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346034-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346035-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346031-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346030-A ANTIDOTES FOR OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346036-A ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346033-A Thienodiazepinone and benzodiazepinone intermediates HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US disclosed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 EP 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 (3 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-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists GPR84, GPR88, HCAR1 MAPK10 3344/4885MAPK8 2806/4885MAPK9 2872/4885
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.