SCHEMBL6259776

SCHEMBL6259776

Cc1ccc(S(=O)(=O)O)cc1CCCCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
SNCA P37840 1/20 0.36
ALDH1A1 P00352 8/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL10693175 0.95 S1PR3 (0.35) S1PR3YAP1TEAD4SNCAALDH1A1
SCHEMBL10694166 0.94 S1PR3 (0.37) S1PR3YAP1TEAD4SNCAALDH1A1
SCHEMBL7709597 0.94 S1PR3 (0.37) S1PR3YAP1TEAD4SNCAALDH1A1
SCHEMBL10688796 0.94 S1PR3 (0.37) S1PR3YAP1TEAD4SNCAALDH1A1
SCHEMBL10694624 0.94 S1PR3 (0.37) S1PR3YAP1TEAD4SNCAALDH1A1
SCHEMBL10966413 0.94 S1PR3 (0.37) S1PR3YAP1TEAD4SNCAALDH1A1
SCHEMBL9148842 0.94 S1PR3 (0.37) S1PR3YAP1TEAD4SNCAALDH1A1
SCHEMBL10693387 0.94 S1PR3 (0.37) S1PR3YAP1TEAD4SNCAALDH1A1
SCHEMBL755115 0.90 YAP1 (0.38) YAP1TEAD4SNCAALDH1A1HSD17B10
SCHEMBL10598218 0.90 SNCA (0.39) S1PR3SNCAALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005065074-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-07-21 WO disclosed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
EP-0667347-B1 Beta-carboline thromboxane synthase inhibitors LILLY CO ELI (US) 2001-11-21 EP disclosed
US-5604236-A PYRIDO(3,4-B)INDOLES AS ENZYME INHIBITOR, POTENT THAN ASPIRIN ELI LILLY AND COMPANY (US) 1997-02-18 US disclosed
EP-0667347-A1 Beta-carboline thromboxane synthase inhibitors ELI LILLY AND COMPANY (US) 1995-08-16 EP disclosed
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
US-4696935-A 3,6-BIS(2-(PIPERIDINO)ETHOXY)ACRIDINE AMERICAN CYANAMID COMPANY (US) 1987-09-29 US disclosed
EP-0031407-B1 SUBSTITUTED 3,6 BIS-(AMINOALKOXY)ACRIDINES, AND A PROCESS FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1987-04-22 EP disclosed
US-4593029-A Enzyme inhibitor SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed
US-4314061-A Certain 3,6-bis-(heteroaminoalkoxy) acridines AMERICAN CYANAMID COMPANY 1982-02-02 US disclosed
EP-0031407-A1 Substituted 3,6 bis-(aminoalkoxy)acridines, and a process for their preparation AMERICAN CYANAMID COMPANY (US) 1981-07-08 EP 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-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 S1PR3 3006/4885YAP1 769/4885TEAD4 841/4885

“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.