SCHEMBL3949547

SCHEMBL3949547

Cc1ccccc1S(=O)(=O)OC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.44
TGFBR1 P36897 2/20 0.43
GPR119 Q8TDV5 7/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 3/20 0.41
EPHX2 P34913 1/20 0.39

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
SCHEMBL3949538 1.00 STS (0.44) STSTGFBR1GPR119JAK2JAK1
SCHEMBL3949543 1.00 STS (0.44) STSTGFBR1GPR119JAK2JAK1
SCHEMBL7954191 0.87 TGFBR1 (0.48) STSTGFBR1GPR119JAK2JAK1
SCHEMBL505550 0.85 GPR119 (0.48) STSGPR119EPHX2
SCHEMBL856352 0.85 GPR119 (0.48) STSGPR119EPHX2
SCHEMBL856350 0.85 GPR119 (0.48) STSGPR119EPHX2
SCHEMBL856351 0.85 GPR119 (0.48) STSGPR119EPHX2
SCHEMBL857313 0.85 GPR119 (0.48) STSGPR119EPHX2
SCHEMBL29895401 0.85 GPR119 (0.48) STSGPR119EPHX2
SCHEMBL1879006 0.85 TGFBR1 (0.52) STSTGFBR1GPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498347-B2 Hydroxycarbonylphenyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-03 US disclosed
US-20060142340-A1 Hydroxycarbonylphenyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht4 antagonists JANSSEN PHARMACEUTICA NV (BE) 2006-06-29 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-20060142340-A1 Hydroxycarbonylphenyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht4 antagonists HTR4, HTR2B, HTR3B STS 3382/4885TGFBR1 2347/4885GPR119 126/4885

“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.