SCHEMBL498481

SCHEMBL498481

COc1ccc(CCC(O)=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.59
FFAR1 O14842 2/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
CALM1 P0DP23 1/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 3/20 0.52
PKM P14618 1/20 0.52
POLB P06746 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49

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
SCHEMBL21477635 0.82 F2RL1 (0.58) F2RL1FFAR1NPC1RAB9ATAAR1
SCHEMBL11197690 0.82 F2RL1 (0.58) F2RL1FFAR1TAAR1CALM1LMNA
SCHEMBL6581242 0.80 NPC1 (0.59) F2RL1FFAR1NPC1RAB9AKDM4E
SCHEMBL30792366 0.80 FFAR1 (0.81) F2RL1FFAR1NPC1RAB9ALMNA
SCHEMBL27383073 0.80 F2RL1 (0.70) F2RL1FFAR1NPC1RAB9ATAAR1
SCHEMBL274471 0.80 FFAR1 (0.81) F2RL1FFAR1NPC1RAB9ALMNA
SCHEMBL2338535 0.80 AKR1B1 (0.49) NPC1RAB9ACALM1ALDH1A1POLB
SCHEMBL11437377 0.79 F2RL1 (0.59) F2RL1FFAR1TAAR1CALM1LMNA
SCHEMBL28343165 0.79 F2RL1 (0.54) F2RL1FFAR1NPC1RAB9ATAAR1
SCHEMBL2273408 0.79 ALDH1A1 (0.55) NPC1KDM4EALDH1A1PKMPOLB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848467-B Preparation method of asymmetric organic persulfate compound 浙江大学 2021-07-20 CN disclosed
CN-111848467-A Preparation method of asymmetric organic persulfate compound 浙江大学 2020-10-30 CN disclosed
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
CN-101995771-B Coloring light-sensitive resin composition, and a colorful optical filter and a liquid crystal display device manufactured by using the coloring light-sensitive resin composition DONGWOO FINE CHEM CO LTD 2013-04-17 CN 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
CN-101995771-A Coloring light-sensitive resin composition, and a colorful optical filter and a liquid crystal display device manufactured by using the coloring light-sensitive resin composition DONGWOO FINE CHEM CO LTD 2011-03-30 CN 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-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-4325964-A SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1982-04-20 US 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 (3 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 3904/4885NPC1 2108/4885
US-20100305059-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA DNMT3A, TET2, MCL1 F2RL1 4019/4885FFAR1 3518/4885NPC1 2391/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR F2RL1 324/4885FFAR1 1011/4885NPC1 3936/4885

“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.