SCHEMBL2930713

SCHEMBL2930713

CCOC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCSCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.63
▸ LMNA P02545 6/20 0.63
▸ MAPT P10636 5/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ HPGD P15428 5/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TP53 P04637 2/20 0.48
▸ ALOX15 P16050 4/20 0.48
▸ KDM4E B2RXH2 5/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46

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
SCHEMBL2930033 0.87 ALDH1A1 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2930037 0.87 ALDH1A1 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2929556 0.87 MAPT (0.51) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2929550 0.86 MAPT (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL13765377 0.85 TUBB4A (0.60) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2929552 0.85 ALDH1A1 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2923480 0.83 MAP2 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2876735 0.78 LMNA (0.56) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL4316541 0.78 ALDH1A1 (0.56) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL3602053 0.78 LMNA (0.58) ALDH1A1LMNAMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 — — EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 — — US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 — — US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 — — EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 — — US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 — — EP disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 — — WO 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 (2 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ALDH1A1 2434/4885LMNA 4850/4885MAPT 2505/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ALDH1A1 2434/4885LMNA 4850/4885MAPT 2505/4885

“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.

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