SCHEMBL10130179

SCHEMBL10130179

COC(=O)c1c(Cl)cc(C(C)=O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.40
CA5A P35218 1/20 0.40
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FUT7 Q11130 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL522606 0.88 CA1 (0.54) ALDH1A1LMNACA12CA1CA2
SCHEMBL25917115 0.84 CA12 (0.50) ALDH1A1LMNACA12CA1CA2
SCHEMBL1706757 0.84 TPMT (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL1707772 0.82 HTT (0.46) ALDH1A1LMNACA12CA1CA2
SCHEMBL5542753 0.81 KMT2A (0.53) ALDH1A1LMNACA12CA1CA2
SCHEMBL14060255 0.81 HPGD (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL10129753 0.79 TSHR (0.47) ALDH1A1LMNACA12CA1CA2
SCHEMBL5786874 0.79 CYP3A4 (0.55) ALDH1A1LMNACA12CA1CA2
SCHEMBL1707046 0.78 NQO2 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL7282028 0.78 CYP3A4 (0.55) ALDH1A1CA12CA1CA2CA7

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
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-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-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-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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 (7 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885LMNA 1395/4885CA12 4549/4885
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885LMNA 1395/4885CA12 4549/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885LMNA 1395/4885CA12 4549/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 119/4885LMNA 1384/4885CA12 4551/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885LMNA 1395/4885CA12 4549/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885LMNA 1395/4885CA12 4549/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 111/4885LMNA 1380/4885CA12 4549/4885

“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.