SCHEMBL6669464

SCHEMBL6669464

Cc1ccccc1S(=O)(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 3/20 0.48
ITGB3 P05106 2/20 0.48
ITGB1 P05556 1/20 0.48
ITGA5 P08648 1/20 0.48
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
HTR6 P50406 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CDC25A P30304 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
PTGS2 P35354 1/20 0.39
CASP1 P29466 1/20 0.39
HPGD P15428 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
SCHEMBL702691 0.83 HTR6 (0.57) CA1CA2HTR6CDC25ACA12
SCHEMBL699183 0.82 HTR6 (0.50) HTR6ALDH1A1HTTNPC1RAB9A
SCHEMBL697565 0.81 ADRA1A (0.49) ITGAVITGB3ITGB1ITGA5CA1
SCHEMBL196636 0.80 ITGB3 (0.64) ITGAVITGB3ITGB1ITGA5ALDH1A1
Hydrochloric Acid SCHEMBL2238159 0.80 ITGB3 (0.64) ITGAVITGB3ITGB1ITGA5ALDH1A1
SCHEMBL7298774 0.79 CA1 (0.48) ITGAVITGB3ITGB1ITGA5CA1
SCHEMBL28112131 0.78 CA1 (0.66) CA1CA2CA12CA9
SCHEMBL7414871 0.74 ALDH1A1 (0.55) ITGAVCA12CA9SLC1A3SLC1A2
SCHEMBL5324212 0.74 ITGB3 (0.53) ITGAVITGB3ITGB1ITGA5CDC25A
SCHEMBL5692314 0.74 PARP1 (0.51) ITGAVITGB3ITGB1ITGA5CA1

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-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US claimed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP disclosed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 ITGAV 4557/4885ITGB3 4641/4885ITGB1 4685/4885

“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.