SCHEMBL2348826

SCHEMBL2348826

Cc1ccc(S(=O)(=O)O)cc1.N=C(N)SCCCC(F)(F)C(F)(F)F

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 6/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 2/20 0.39
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
G6PD P11413 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TSHR P16473 1/20 0.34
NT5E P21589 1/20 0.34
NOS1 P29475 3/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10568436 0.93 ALDH1A1 (0.53) ALDH1A1LMNAMAPTCYP2D6MAPK1
SCHEMBL28470128 0.85 IDO1 (0.47) ALDH1A1LMNAMAPTMAPK1IDO1
SCHEMBL4732541 0.81 NOS1 (0.43) ALDH1A1LMNAMAPTCYP2D6MAPK1
SCHEMBL4732345 0.77 NOS1 (0.47) ALDH1A1LMNAMAPTCYP2D6MAPK1
SCHEMBL9635173 0.77 CYP1A2 (0.50) ALDH1A1LMNAMAPTCYP2D6IDO1
SCHEMBL4733905 0.76 ALDH1A1 (0.37) ALDH1A1LMNAMAPTCYP2D6MAPK1
Bromide SCHEMBL10596031 0.75 HRH4 (0.50) ALDH1A1LMNAMAPTCYP2D6IDO1
SCHEMBL850773 0.74 ALDH1A1 (0.57) ALDH1A1LMNAMAPTCYP2D6MAPK1
SCHEMBL4730563 0.73 NOS1 (0.46) ALDH1A1LMNAMAPTCYP2D6MAPK1
SCHEMBL2379804 0.73 CYP2D6 (0.46) ALDH1A1LMNAMAPTCYP2D6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357917-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
US-10023556-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2018-07-17 US disclosed
EP-3124481-B1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
EP-2824102-B1 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
EP-3124481-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2016-12-29 US disclosed
US-9481664-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9108944-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2015-07-02 US disclosed
EP-2824102-A1 Androgen receptor modulators and uses thereof Aragon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
EP-2536708-A2 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
WO-2011103202-A2 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2011-08-25 WO disclosed
WO-2008044033-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2008-04-17 WO disclosed
EP-0163416-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4833135-A Antioestrogenic phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-23 US disclosed
US-4751240-A ANTIFERTILITY AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-14 US disclosed
EP-0166509-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP disclosed
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 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 (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-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 ALDH1A1 853/4885LMNA 3435/4885MAPT 3119/4885
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 ALDH1A1 853/4885LMNA 3435/4885MAPT 3119/4885
US-10023556-B2 Androgen receptor modulators and uses thereof AR, ESRRA, NR5A1 ALDH1A1 853/4885LMNA 3435/4885MAPT 3119/4885
US-20160376252-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 ALDH1A1 853/4885LMNA 3435/4885MAPT 3119/4885

“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.