SCHEMBL5860744

SCHEMBL5860744

OCc1cc(-c2ccc(C(F)(F)F)cc2)oc1CSCc1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 3/20 0.43
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 4/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6165133 0.79 CYP1A1 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5861705 0.79 PPARD (0.56)
SCHEMBL5861839 0.75 ALDH1A1 (0.38) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL5860764 0.74 GAA (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3107826 0.73 CYP1A1 (0.40) NPC1RAB9AKDM4ECYP1A2CYP3A4
SCHEMBL5861847 0.71 MAPT (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5861080 0.70 ERAP1 (0.39) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3079520 0.69 SMN1; SMN2 (0.83) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3111585 0.69 CYP1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5862799 0.68 CYP1A1 (0.41) NPC1RAB9AKMT2AHTTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 US disclosed
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
US-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors GLAXO GROUP LIMITED (GB) 2004-08-12 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 (1 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA SMN1; SMN2 3688/4885NPC1 247/4885RAB9A 2352/4885

“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.