SCHEMBL9894874

SCHEMBL9894874

Cc1ccccc1CC(C(=O)Nc1nc2ccccc2o1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTGS2 P35354 1/20 0.40
P2RY14 Q15391 1/20 0.40
CSNK1D P48730 1/20 0.39
PKM P14618 1/20 0.39
GCK P35557 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SCD O00767 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX12 P18054 1/20 0.38
BUB1 O43683 1/20 0.38
FFAR2 O15552 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
SCHEMBL9896932 1.00 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2PTGS2
SCHEMBL9894873 1.00 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2PTGS2
SCHEMBL9895051 0.89 CSNK1D (0.43) NPC1RAB9ATP53SMN1; SMN2PTGS2
SCHEMBL9894908 0.89 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2PTGS2
SCHEMBL9895125 0.89 FFAR2 (0.52) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL9895215 0.87 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2PTGS2
SCHEMBL9897188 0.86 PTPN2 (0.46) NPC1RAB9ATP53SMN1; SMN2PTGS2
SCHEMBL9895023 0.85 PTPN1 (0.45) NPC1RAB9ATP53SMN1; SMN2PTGS2
SCHEMBL9895818 0.85 PTPN1 (0.45) NPC1RAB9ATP53SMN1; SMN2PTGS2
SCHEMBL9894981 0.85 CSNK1D (0.39) NPC1RAB9ATP53SMN1; SMN2PTGS2

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US claimed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 NPC1 599/4885RAB9A 1669/4885TP53 3820/4885

“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.