SCHEMBL10129707

SCHEMBL10129707

COC(=O)[C@@H](C)Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL16978741 0.85 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10CA12CA2
SCHEMBL12718972 0.84 SLC7A5 (0.49) ALDH1A1GAAHSD17B10CA12CA2
SCHEMBL879316 0.84 SLC7A5 (0.49) ALDH1A1GAAHSD17B10CA12CA2
SCHEMBL28394998 0.84 ALDH1A1 (0.41) ALDH1A1GAAHSD17B10CA12CA2
SCHEMBL23744983 0.83 CA12 (0.51) ALDH1A1GAAHSD17B10CA12CA2
Hydrochloric Acid SCHEMBL28435545 0.83 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10CA12CA2
Hydrochloric Acid SCHEMBL28435547 0.83 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10CA12CA2
SCHEMBL20115655 0.83 CA12 (0.48) ALDH1A1GAAHSD17B10CA12CA2
SCHEMBL23792322 0.82 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10CA12CA2
SCHEMBL15445326 0.81 CA12 (0.55) ALDH1A1HSD17B10CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-02-20 US disclosed
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 US disclosed
US-8071617-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2011-12-06 US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-20110124669-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 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 (6 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-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885GAA 3533/4885HSD17B10 4048/4885
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885GAA 3533/4885HSD17B10 4048/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885GAA 3533/4885HSD17B10 4048/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885GAA 3533/4885HSD17B10 4048/4885
US-20110124669-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885GAA 3533/4885HSD17B10 4048/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885GAA 3533/4885HSD17B10 4048/4885

“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.