Sugi Predict

Sugi Predict / Compounds / SCHEMBL2159227

SCHEMBL2159227

SCHEMBL2159227

FC(F)(F)c1cc(I)cc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.40
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ TXNRD3 Q86VQ6 1/20 0.33
▸ TXNRD2 Q9NNW7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ PTPN5 P54829 2/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ ITGB3 P05106 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
SCHEMBL81205 0.94 CES2 (0.46) CES2TSHRALDH1A1IDO1CYP3A4
SCHEMBL18260731 0.84 RXRA (0.36) CES2TSHRALDH1A1IDO1RXRA
SCHEMBL30074464 0.84 RXRA (0.36) CES2TSHRALDH1A1IDO1RXRA
SCHEMBL13404348 0.82 RAPGEF4 (0.42) CES2MAPTRAPGEF4NOS3
SCHEMBL979567 0.82 RAPGEF4 (0.41) CES2TSHRALDH1A1CYP3A4HPGD
SCHEMBL23133410 0.82 CES2 (0.33) CES2IDO1
SCHEMBL30074438 0.82 RAPGEF4 (0.41) CES2TSHRALDH1A1CYP3A4HPGD
SCHEMBL14303165 0.82 CES2 (0.33) CES2IDO1
SCHEMBL5473657 0.82 TSHR (0.46) CES2TSHRALDH1A1IDO1MAPK1
SCHEMBL18077879 0.82 GABRB2 (0.42) CES2IDO1TRPV1ADRB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021230325-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE 宇部興産株式会社 2021-11-18 — — WO disclosed
EP-2471773-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-03-23 — — EP disclosed
EP-2471773-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-03-23 — — EP disclosed
EP-2471774-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 — — EP disclosed
EP-2471774-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 — — EP disclosed
EP-2471773-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 — — EP disclosed
EP-2471773-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 — — EP disclosed
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 — — US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 — — US disclosed
US-20020172652-A1 Composition for film formation and material for insulating film formation JSR CORPORATION (JP) 2002-11-21 — — US disclosed
US-20020172850-A1 Polymer electrolyte membrane and solid polymer electrolyte fuel cell using same HONDA GIKEN KOGYO KABUSHIKI KAISHA, JSR CORPORATION 2002-11-21 — — US disclosed
CN-1379009-A Monomer containing electron drawing group and electron donating group and polymer and proton conductive membrane containing same JSR CORP (JP) 2002-11-13 — — CN disclosed
EP-1245638-A1 Composition for insulating film formation JSR Corporation (JP) 2002-10-02 — — EP disclosed
US-20020064953-A1 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR CORPORATION (JP) 2002-05-30 — — US disclosed
EP-1188807-A2 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR Corporation (JP) 2002-03-20 — — EP disclosed
US-20010037000-A1 Polyarylene copolymers and proton-conductive membrane JSR CORPORATION (JP) 2001-11-01 — — US disclosed
EP-0956312-B1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORP (JP) 2001-10-10 — — EP disclosed
US-6300465-B1 Process for producing phenylene-containing polymer and film-forming material JSR CORPORATION (JP) 2001-10-09 — — US disclosed
EP-1138712-A2 Polyarylene copolymers and proton-conductive membrane JSR Corporation (JP) 2001-10-04 — — 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 (2 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-20020172652-A1 Composition for film formation and material for insulating film formation VCL, BMI1, PUF60 CES2 1227/4885TSHR 4810/4885ALDH1A1 2731/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CES2 1388/4885TSHR 1341/4885ALDH1A1 263/4885

“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.