SCHEMBL1783862

SCHEMBL1783862

CS(=O)(=O)N(c1cccc(B(O)O)c1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MGLL Q99685 2/20 0.40
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL5175108 0.84 ALDH1A1 (0.50) KDM4EALDH1A1
SCHEMBL3042479 0.80 RORC (0.41) ENPP2ALDH1A1LPLLIPG
SCHEMBL30582972 0.77 ENPP2 (0.55) ENPP2KDM4EMGLLLPLLIPG
SCHEMBL150235 0.75 ALDH1A1 (0.54) ENPP2KDM4EALDH1A1MGLLLPL
SCHEMBL26449405 0.74 ENPP2 (0.35) ENPP2KDM4EALDH1A1
SCHEMBL12228137 0.73 POLB (0.51) ALDH1A1
SCHEMBL6096 0.73 ENPP2 (0.61) ENPP2KDM4EALDH1A1MGLLLPL
Hydrochloric Acid SCHEMBL9098386 0.73 ALDH1A1 (0.52) ENPP2KDM4EALDH1A1MGLLLPL
SCHEMBL8203388 0.72 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL16423298 0.72 LMNA (0.45) ALDH1A1CA4CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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 (3 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R ENPP2 4306/4885KDM4E 3045/4885ALDH1A1 54/4885
US-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ENPP2 3058/4885KDM4E 2720/4885ALDH1A1 222/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R ENPP2 4306/4885KDM4E 3045/4885ALDH1A1 54/4885

“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.