SCHEMBL3558388

SCHEMBL3558388

O=C(CCCOc1ccccc1F)Nc1cscc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
BRD4 O60885 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRB2 P07550 1/20 0.42
DHODH Q02127 1/20 0.42
PTPN1 P18031 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL3556584 0.86 NPC1 (0.59) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3553708 0.84 L3MBTL1 (0.56) NPC1RAB9ALMNAMAPK1ALDH1A1
SCHEMBL3561702 0.80 LMNA (0.47) LMNAMAPK1ALDH1A1
SCHEMBL3561221 0.75 KDM6B (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3553804 0.75 SMN1; SMN2 (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3562902 0.75 NPC1 (0.52) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL3562528 0.74 MMP3 (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5300869 0.73 HCAR2 (0.62) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3558746 0.73 NPC1 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL21533548 0.72 KMT2A (0.60) NPC1RAB9AKMT2A

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 NPC1 1082/4885RAB9A 813/4885MEN1 1943/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 NPC1 1082/4885RAB9A 813/4885MEN1 1943/4885

“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.