SCHEMBL3556296

SCHEMBL3556296

CC(C)c1ccc(OCC(=O)Nc2cscc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 5/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HCAR2 Q8TDS4 2/20 0.51
MAPT P10636 4/20 0.51
RECQL P46063 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 2/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL3551632 0.90 TP53 (0.56) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL3557253 0.89 ALDH1A1 (0.57) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL3559719 0.86 NPC1 (0.57) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL3556730 0.83 HCAR2 (0.70) ALDH1A1LMNASMN1; SMN2HCAR2MAPT
SCHEMBL5696430 0.82 HCAR2 (0.74) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL3561257 0.82 HCAR2 (0.56) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL3556228 0.81 LMNA (0.51) ALDH1A1LMNAHPGDHCAR2KMT2A
SCHEMBL3555339 0.81 ALDH1A1 (0.51) NPC1ALDH1A1SMN1; SMN2HCAR2KMT2A
SCHEMBL3559573 0.81 MEN1 (0.50) NPC1RAB9AL3MBTL1HCAR2KMT2A
SCHEMBL3559960 0.81 NPC1 (0.51) NPC1RAB9AALDH1A1LMNAHPGD

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 12 patents. 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 claimed
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
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
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 NPC1 1082/4885RAB9A 813/4885ALDH1A1 1492/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 NPC1 1082/4885RAB9A 813/4885ALDH1A1 1492/4885

“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.