SCHEMBL5079433

SCHEMBL5079433

O=c1[nH]c2ccccc2cc1-c1cc2cc(CN[C@H]3CS(=O)(=O)C[C@@H]3O)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.49
KDR P35968 13/20 0.49
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 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
SCHEMBL5079432 0.91 CHEK1 (0.49) CHEK1KDR
SCHEMBL5078737 0.82 CHEK1 (0.52) CHEK1KDR
SCHEMBL5076160 0.81 CHEK1 (0.59) CHEK1KDR
SCHEMBL14559471 0.81 CHEK1 (0.55) CHEK1KDR
SCHEMBL145148 0.81 CHEK1 (0.55) CHEK1KDR
SCHEMBL5078741 0.79 CHEK1 (0.52) CHEK1KDR
SCHEMBL175100 0.79 CHEK1 (0.53) CHEK1KDR
SCHEMBL146970 0.76 KDR (0.66) CHEK1KDR
SCHEMBL14012853 0.75 CHEK1 (0.53) CHEK1KDR
SCHEMBL5081983 0.75 CHEK1 (0.53) CHEK1KDR

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
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 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-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885KDR 5/4885CTSD 2605/4885

“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.