SCHEMBL3595754

SCHEMBL3595754

N#CCC(=O)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
MAOB P27338 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL136576 0.81 MMP2 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL18116276 0.79 MAPT (0.49) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL27931867 0.79 RAB9A (0.57) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL4859516 0.79 NPC1 (0.62) RAB9ANPC1L3MBTL1KMT2ALMNA
SCHEMBL133449 0.78 PTPN1 (0.59) ALDH1A1MAPT
SCHEMBL9248136 0.78 NPC1 (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL395103 0.77 GSK3B (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL1985055 0.76 L3MBTL1 (0.60) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18551705 0.76 L3MBTL1 (0.59) NPC1SMN1; SMN2L3MBTL1MEN1KMT2A
Bicarbonate SCHEMBL27771212 0.75 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA RAB9A 3082/4885NPC1 818/4885SMN1; SMN2 3550/4885

“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.