SCHEMBL4598411

SCHEMBL4598411

COc1ccc(-c2ccccc2S(C)(=O)=O)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
ERN1 O75460 10/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
PTGS1 P23219 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 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
SCHEMBL14499359 0.81 PTGS2 (0.57) PTGS2ALDH1A1MAPTSMN1; SMN2PTPRC
SCHEMBL7936530 0.80 ERN1 (0.51) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL14525142 0.77 FEN1 (0.39) PTGS2ERN1ALDH1A1KDM4E
SCHEMBL4600339 0.77 ERN1 (0.70) PTGS2ERN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4600280 0.76 ERN1 (0.48) ERN1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4600135 0.76 ALDH1A1 (0.62) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL15679310 0.75 ERN1 (0.47) ERN1ALDH1A1MAPTKDM4E
SCHEMBL4600059 0.75 PGR (0.50) ERN1ALDH1A1MAPTLMNA
SCHEMBL6101095 0.75 ERN1 (0.47) ERN1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL19127752 0.73 ERN1 (0.56) ERN1ALDH1A1KDM4EMEN1KMT2A

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 PTGS2 428/4885ERN1 4124/4885ALDH1A1 915/4885

“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.