SCHEMBL4032966

SCHEMBL4032966

Cc1cc(C)cc(SSc2cc(C)cc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
ACHE P22303 2/20 0.37
TPMT P51580 1/20 0.35
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
C1S P09871 1/20 0.33
PRSS3 P35030 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AA1 P07900 1/20 0.31
CCR6 P51684 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31

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
SCHEMBL3689119 0.79 ALDH1A1 (0.44) ALDH1A1TSHRACHETPMTSELL
SCHEMBL17153783 0.78 RAPGEF4 (0.44) RAPGEF4IDO1MAPT
SCHEMBL19885313 0.78 TSHR (0.40) TSHRRAPGEF4CYP3A4TUBB4ATUBB
SCHEMBL14252153 0.76 ALDH1A1 (0.42) ALDH1A1TSHRACHETPMTSELL
SCHEMBL1145430 0.76 ALDH1A1 (0.42) ALDH1A1TSHRACHETPMTSELL
SCHEMBL26115 0.76
SCHEMBL341533 0.76 ALDH1A1 (0.67) ALDH1A1TSHRACHETPMTSELL
SCHEMBL24846428 0.73 ALDH1A1 (0.40) ALDH1A1TSHRACHETPMTSELL
SCHEMBL22915715 0.73 ALDH1A1 (0.40) ALDH1A1TSHRACHETPMTSELL
SCHEMBL22725243 0.73 ALDH1A1 (0.40) ALDH1A1TSHRACHETPMTSELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153305-A From diaryl disulfide; mild conditions using organometallic catalyst RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1992-10-06 US claimed
JP-4216825-A None JP disclosed
CN-112430202-B Alpha-chloro-alpha-fluoroalkyl thioether derivative and its synthesis method and use 平顶山学院 2023-03-03 CN disclosed
CN-112430202-A Alpha-chloro-alpha-fluoroalkyl thioether derivative and its synthesis method and use 平顶山学院 2021-03-02 CN disclosed
CN-102186812-A Methods for preparing fluoroalkyl arylsulfinyl compounds and fluorinated compounds thereto UBE INDUSTRIES 2011-09-14 CN disclosed
US-7626027-B2 Substituted 1H-pyrrolo[2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase Iε AVENTIS PHARMACEUTICALS INC (US) 2009-12-01 US disclosed
EP-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP disclosed
US-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie AVENTIS PHARMACEUTICALS INC. (US) 2008-08-21 US disclosed
US-7402672-B2 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2008-07-22 US disclosed
EP-1747220-A1 SUBSTITUTED 1H-PYRROLO 3,2-B, 3,2-C, AND 2,3-C¨PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON Aventis Pharmaceuticals Inc. (US) 2007-01-31 EP disclosed
US-5318972-A Active against retroviruses, human t-cell leukemia/lymphoma viruses MITSUBISHI KASEI CORPORATION (JP) 1994-06-07 US disclosed
US-5290911-A Forming polymers by catalytic oxidative coupling RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1994-03-01 US disclosed
US-5153305-A From diaryl disulfide; mild conditions using organometallic catalyst RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1992-10-06 US disclosed
JP-H04216825-A PRODUCTION OF POLYARYLENE THIOETHER RES INST FOR PROD DEV 1992-08-06 JP disclosed
EP-0449726-A1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient Mitsubishi Chemical Corporation (JP) 1991-10-02 EP disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP disclosed
US-4983720-A Process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1991-01-08 US disclosed
EP-0402481-A1 PRODUCTION OF POLYARYLENE THIOETHER RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1990-12-19 EP disclosed
US-4931542-A Process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL COMPANY, LIMITED (JP) 1990-06-05 US disclosed
EP-0281036-A2 A process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-07 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-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie CSNK1E, CSNK1G3, CSNK2A3 ALDH1A1 3613/4885TSHR 3252/4885ACHE 1078/4885

“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.