SCHEMBL4246935

SCHEMBL4246935

O=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
FPR2 P25090 1/20 0.43
MTOR P42345 1/20 0.42
CCR3 P51677 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PTGS1 P23219 1/20 0.40
MAPT P10636 2/20 0.40
APOB P04114 1/20 0.40
MTTP P55157 1/20 0.40
NR3C1 P04150 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL13744285 0.89 BUB1 (0.40) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4245920 0.88 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4238703 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4246942 0.85 TRPV1 (0.40)
SCHEMBL4249844 0.84 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2MAPTTP53POLB
SCHEMBL4243214 0.83 KMT2A (0.45) MAPTTP53MEN1KMT2A
SCHEMBL13743523 0.83 SMN1; SMN2 (0.47) NPC1RAB9AFPR2CCR3L3MBTL1
SCHEMBL13743509 0.83 NPC1 (0.51) NPC1RAB9AHIF1AEPAS1RXFP1
SCHEMBL4244319 0.82 TRPV1 (0.41) NPC1RAB9APTGS1
SCHEMBL4240935 0.82 NPC1 (0.50) NPC1RAB9AHIF1AEPAS1RXFP1

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 NPC1 163/4885RAB9A 2428/4885HIF1A 4594/4885

“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.