SCHEMBL14499498

SCHEMBL14499498

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

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.71
SMN1; SMN2 Q16637 1/20 0.54
PTGS1 P23219 2/20 0.54
ERN1 O75460 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.48

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
SCHEMBL20924569 0.88 TSHR (0.56) PTGS2SMN1; SMN2PTGS1ALDH1A1MAPT
SCHEMBL6724685 0.86 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5715568 0.86 PTGS2 (0.69) PTGS2SMN1; SMN2ERN1HPGDLMNA
SCHEMBL7412893 0.85 SMN1; SMN2 (0.67) PTGS2SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL6728864 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8974923 0.84 PTGS2 (0.60) PTGS2SMN1; SMN2PTGS1KDM4EALDH1A1
SCHEMBL8654693 0.84 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8055958 0.81 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8044562 0.81 PTGS2 (0.76) PTGS2SMN1; SMN2PTGS1ERN1
SCHEMBL12326161 0.81 PDGFRB (0.58) PTGS2PTGS1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 PTGS2 428/4885SMN1; SMN2 1617/4885PTGS1 398/4885

“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.