SCHEMBL498482

SCHEMBL498482

COc1ccc(CCC(=O)S)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.68
FFAR1 O14842 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SLC5A1 P13866 1/20 0.57
SLC5A2 P31639 1/20 0.57
ALOX5 P09917 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
FKBP1A P62942 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
CALM1 P0DP23 1/20 0.52

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
SCHEMBL7329940 0.84 F2RL1 (0.85) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL30792366 0.82 FFAR1 (0.81) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL274471 0.82 FFAR1 (0.81) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL2468017 0.82 SMN1; SMN2 (0.72) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL1334 0.82 SMN1; SMN2 (0.72) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL9404116 0.81 F2RL1 (1.00) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL1445627 0.81 F2RL1 (0.73) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL2487562 0.81 F2RL1 (0.68) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL2338537 0.81 AKR1B1 (0.47) F2RL1ALDH1A1NFKB1NFKB2RELA
SCHEMBL925662 0.81 F2RL1 (0.68) F2RL1FFAR1ALDH1A1POLBNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664272-B2 Composition and methods for the treatment of myelodysplastic syndrome and acute myeloid leukemia Temple University—Of the Commonwealth System of Higher Education (US) 2014-03-04 US disclosed
US-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 US disclosed
US-8106033-B2 (E)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)acetic acid; antiproliferative; anticarcinogenic agent : solid tumors, leukemia; \"cytoproliferative\" diseases: atherosclerosis, fibrosis, Paget's disease; synergistic effect with other active ingredients TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-01-31 US disclosed
US-20100305059-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-12-02 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US disclosed
US-20080161252-A1 Composition and Methods For the Treatment of Proliferative Diseases TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-07-03 US disclosed
WO-2008033475-A2 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC. (US) 2008-03-20 WO disclosed
WO-2008027049-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-06 WO disclosed
EP-1487428-A4 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-04-19 EP disclosed
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-06-16 US disclosed
EP-1487428-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2004-12-22 EP disclosed
WO-2003072062-A2 AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 WO disclosed
WO-1999040882-A2 STEREOSELECTIVE Tc-99m LIGANDS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-08-19 WO disclosed
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 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 (4 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-20080161252-A1 Composition and Methods For the Treatment of Proliferative Diseases CCNH, POLH, CCNO F2RL1 4833/4885FFAR1 3904/4885ALDH1A1 1363/4885
US-20100305059-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA DNMT3A, TET2, MCL1 F2RL1 4019/4885FFAR1 3518/4885ALDH1A1 1255/4885
US-20050130942-A1 Amino-substituted (e)-2,6-dialkoxystyryl 4-substituted-benzylsulfones for treating proliferative disorders CCNY, CCND2, CCNB1 F2RL1 4164/4885FFAR1 2016/4885ALDH1A1 2155/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR F2RL1 324/4885FFAR1 1011/4885ALDH1A1 2628/4885

“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.