SCHEMBL3591133

SCHEMBL3591133

CS(=O)(=O)c1cc(C#CC2CCCC2)ccc1C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 14/20 0.47
RAB9A P51151 13/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 9/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 6/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3587189 0.86 NPC1 (0.62) ALDH1A1KMT2ANPC1RAB9ATSHR
SCHEMBL3585307 0.82 NPC1 (0.65) ALDH1A1KMT2ANPC1RAB9ATSHR
SCHEMBL13544238 0.81 NPC1 (0.51) ALDH1A1KMT2ANPC1RAB9ATSHR
SCHEMBL13757257 0.81 RAB9A (0.59) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3582499 0.80 NPC1 (0.60) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL13757202 0.76 RAB9A (0.62) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13543964 0.76 FFAR1 (0.45)
SCHEMBL3586531 0.74 NPC1 (0.46) ALDH1A1KMT2ANPC1RAB9ATSHR
SCHEMBL13544144 0.73 NPC1 (0.45) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3586641 0.71 FFAR1 (0.43) LMNA

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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1265/4885KMT2A 4280/4885NPC1 879/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1821/4885KMT2A 4331/4885NPC1 959/4885

“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.