SCHEMBL3677013

SCHEMBL3677013

Cc1ccc(S(=O)(=O)O)cc1.FC(F)(F)c1ccc(I)cc1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
TRPV1 Q8NER1 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
FFAR1 O14842 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KIF11 P52732 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL3349093 0.86 ALDH1A1 (0.50) ALDH1A1CA1CA2CA5ACA9
SCHEMBL16581571 0.85 LMNA (0.50) ALDH1A1BCHEACHELMNASMN1; SMN2
SCHEMBL10485597 0.84 ALDH1A1 (0.52) ALDH1A1BCHEACHECA1CA2
SCHEMBL3683218 0.83 TSHR (0.55) ALDH1A1TRPV1KIF11SMN1; SMN2KDM4E
SCHEMBL230582 0.82 KIF11 (0.55) ALDH1A1CA1CA2CA9KIF11
SCHEMBL20815903 0.82 ALDH1A1 (0.50) ALDH1A1BCHEACHECA1CA2
Hydrochloric Acid SCHEMBL4589695 0.80 KIF11 (0.53) ALDH1A1CA1CA2CA9KIF11
SCHEMBL15568689 0.80 KIF11 (0.53) ALDH1A1CA1CA2CA9KIF11
SCHEMBL6115108 0.80 KIF11 (0.53) ALDH1A1CA1CA2CA9KIF11
Ethylene SCHEMBL28421049 0.79 KIF11 (0.52) ALDH1A1CA1CA2CA9KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP disclosed
US-20020192593-A1 Used as chemically amplified resist, exhibits high sensitivity, resolution, radiation transmittance, and surface smoothness, and is free from the problem of partial insolublization during overexposure JSR CORPORATION (JP) 2002-12-19 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 (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-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 ALDH1A1 1078/4885BCHE 4597/4885ACHE 4853/4885

“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.