SCHEMBL3555372

SCHEMBL3555372

O=C(COc1ccc(-c2ccc(F)cc2)cn1)Nc1cscc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 8/20 0.47
CXCR2 P25025 8/20 0.47
HCAR2 Q8TDS4 1/20 0.41
TRPM4 Q8TD43 1/20 0.40
ADORA2B P29275 1/20 0.40
PTPN1 P18031 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL3561736 0.89 CXCR1 (0.43) CXCR1CXCR2ADORA2BNPC1RAB9A
SCHEMBL3559960 0.86 NPC1 (0.51) HCAR2NPC1RAB9AHPGDADORA3
SCHEMBL3558746 0.86 NPC1 (0.44) CXCR1CXCR2HCAR2TRPM4PTPN1
Hydrochloric Acid SCHEMBL5696393 0.84 HCAR2 (0.57) CXCR1CXCR2HCAR2NPC1KDM4E
SCHEMBL3554946 0.82 KDM4E (0.47) HCAR2TRPM4PTPN1NPC1RAB9A
SCHEMBL3555411 0.82 TRPM4 (0.49) CXCR1CXCR2HCAR2TRPM4NPC1
Hydrochloric Acid SCHEMBL5696396 0.77 HCAR2 (0.54) HCAR2KDM4EMEN1ALDH1A1CYP2C9
SCHEMBL3561257 0.76 HCAR2 (0.56) HCAR2NPC1RAB9AMEN1ALDH1A1
SCHEMBL3556750 0.76 MAPK10 (0.46) CXCR1CXCR2NPC1RAB9AHPGD
SCHEMBL3556228 0.75 LMNA (0.51) HCAR2PTPN1HPGDKDM4EMEN1

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 CXCR1 352/4885CXCR2 543/4885HCAR2 121/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 CXCR1 352/4885CXCR2 543/4885HCAR2 121/4885

“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.