SCHEMBL12373361

SCHEMBL12373361

O=C1C=C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)C=C1Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TCF4 P15884 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ PSMB1 P20618 1/20 0.62
▸ PSMB5 P28074 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ CTNNB1 P35222 1/20 0.62
▸ PSMB2 P49721 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ KDM4E B2RXH2 11/20 0.59
▸ LMNA P02545 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ POLB P06746 2/20 0.57
▸ EGFR P00533 1/20 0.56

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
SCHEMBL2243458 0.89 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL21162950 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL15986425 0.79 KDM4E (0.70) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL1667129 0.77 KDM4E (0.75) ALDH1A1HSD17B10KDM4ELMNASMN1; SMN2
SCHEMBL2239357 0.77 ALDH1A1 (0.74) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL2243581 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL29392404 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL2238805 0.77 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL22560761 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL12968735 0.75 CA12 (0.64) ALDH1A1HSD17B10CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2021-04-29 — — US disclosed
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2019-06-27 — — US disclosed
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 — — US disclosed
US-20170202795-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2017-07-20 — — US disclosed
US-9604923-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H.LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-03-28 — — US disclosed
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-11-06 — — US disclosed
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 — — US disclosed
US-7960434-B2 Small molecule inhibitors of STAT3 with anti-tumor activity UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-14 — — US disclosed
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2009-03-12 — — 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-20170202795-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A ALDH1A1 3674/4885HSD17B10 4408/4885CYP1A2 4794/4885
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A ALDH1A1 3674/4885HSD17B10 4408/4885CYP1A2 4794/4885
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A ALDH1A1 3674/4885HSD17B10 4408/4885CYP1A2 4794/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A ALDH1A1 3674/4885HSD17B10 4408/4885CYP1A2 4794/4885
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, JAK2 ALDH1A1 3626/4885HSD17B10 4393/4885CYP1A2 4789/4885
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A ALDH1A1 3674/4885HSD17B10 4408/4885CYP1A2 4794/4885
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A ALDH1A1 3674/4885HSD17B10 4408/4885CYP1A2 4794/4885

“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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