SCHEMBL2930037

SCHEMBL2930037

CCOC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCS(O)(O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MAPT P10636 6/20 0.50
▸ LMNA P02545 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TP53 P04637 2/20 0.48
▸ ALOX15 P16050 5/20 0.47
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45
▸ TUBA3C P0DPH7 2/20 0.45
▸ TUBA1B P68363 2/20 0.45
▸ TUBA4A P68366 2/20 0.45
▸ TUBB4B P68371 2/20 0.45
▸ TUBB3 Q13509 2/20 0.45
▸ TUBB2A Q13885 2/20 0.45

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 0.92 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2930713 0.87 ALDH1A1 (0.63) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2929550 0.85 MAPT (0.52) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2926071 0.83 MAP2 (0.47) KDM4EHSD17B10TSHR
SCHEMBL2929556 0.81 MAPT (0.51) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2876735 0.78 LMNA (0.56) ALDH1A1HPGDCYP1A2CYP2C19MAPT
SCHEMBL4316541 0.77 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL3602053 0.77 LMNA (0.58) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL2929552 0.77 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4018149 0.76 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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 2434/4885HPGD 4099/4885CYP1A2 3059/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ALDH1A1 2434/4885HPGD 4099/4885CYP1A2 3059/4885

“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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