SCHEMBL4600339

SCHEMBL4600339

COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1C=O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.70
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PTGS2 P35354 10/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL823282 0.89 ERN1 (0.56) ERN1ALDH1A1HPGDHTTNPSR1
SCHEMBL7092074 0.87 SMN1; SMN2 (0.61) ERN1ALDH1A1HPGDHTTNPSR1
SCHEMBL822590 0.82 ERN1 (0.50) ERN1ALDH1A1HPGDHTTNPSR1
SCHEMBL12767041 0.82 ERN1 (1.00) ERN1
SCHEMBL5715568 0.82 PTGS2 (0.69) ERN1HPGDHTTNPSR1PTGS2
SCHEMBL4600135 0.80 ALDH1A1 (0.62) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL14499498 0.79 PTGS2 (0.71) ERN1ALDH1A1HPGDPTGS2SMN1; SMN2
SCHEMBL19792588 0.79 ERN1 (0.71) ERN1ALDH1A1KDM4E
SCHEMBL4599426 0.79 ERN1 (0.54) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6098384 0.79 ALDH1A1 (0.63) ERN1ALDH1A1KDM4ETSHRTDP1

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
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885ALDH1A1 915/4885HPGD 699/4885

“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.