Sugi Predict

Sugi Predict / Compounds / SCHEMBL3270458

SCHEMBL3270458

SCHEMBL3270458

O=C(O)c1cccc(Cl)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.55
▸ PBRM1 Q86U86 1/20 0.44
▸ CLCN2 P51788 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MT-CO2 P00403 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL28481844 0.86 ALDH1A1 (0.52) TSHRALDH1A1ALOX15HPGDMAPT
SCHEMBL20268801 0.85 ALDH1A1 (0.47) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL7784256 0.83 P2RX1 (0.43) TSHRALDH1A1HPGDKDM4ERXFP1
SCHEMBL17350975 0.83 KMT2A (0.47) TSHRALDH1A1PBRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL11858933 0.82 TSHR (0.59) TSHRALDH1A1PBRM1ALOX15MEN1
SCHEMBL10946686 0.81 TSHR (0.44) TSHRALDH1A1PBRM1CLCN2MEN1
SCHEMBL10222516 0.81 TSHR (0.57) TSHRALDH1A1PBRM1ALOX15MEN1
SCHEMBL30462473 0.81 TSHR (0.45) TSHRALDH1A1PBRM1CLCN2MEN1
SCHEMBL940482 0.80 HSD17B10 (0.48) TSHRALDH1A1ALOX15HPGDMAPT
SCHEMBL7784257 0.79 PTPN1 (0.45) TSHRALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005638-A Pyrazolo [3,4-d ] pyrimidine structure-containing compound, and preparation method and application thereof 西安新通药物研究股份有限公司 2024-05-10 — — CN disclosed
CN-116947749-B Amide compounds and application thereof 帕潘纳(北京)科技有限公司 2023-12-01 — — CN disclosed
CN-116947749-A Novel-structure amide compound and application thereof 帕潘纳(北京)科技有限公司 2023-10-27 — — CN disclosed
EP-3736268-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2020-11-11 — — EP disclosed
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 — — EP disclosed
US-9783505-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-10 — — US disclosed
CN-103705519-B Cyclic triazo and diazo sodium channel blockers 格林威治大学 2017-04-19 — — CN disclosed
US-9556126-B2 Substituted diaminopyrimidyl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-01-31 — — US disclosed
US-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-12-08 — — US disclosed
CN-106170290-A Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof 西格诺药品有限公司 2016-11-30 — — CN disclosed
US-20070142230-A1 Benzoyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-06-21 — — US disclosed
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US disclosed
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US disclosed
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US disclosed
CN-1898213-A Heteroaroyl-substituted phenylalanineamides with herbicidal action BASF AG (DE) 2007-01-17 — — CN disclosed
CN-1894202-A Benzoyl-substituted phenylalanine amides BASF AG (DE) 2007-01-10 — — CN disclosed
EP-1716120-A1 HERBICIDAL HETEROAROYL-SUBSTITUTED PHENYLALANINE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 — — EP disclosed
EP-1697309-A2 BENZOYL-SUBSTITUTED PHENYLALANINE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2006-09-06 — — EP disclosed
WO-2005061464-A1 HERBICIDAL HETEROAROYL-SUBSTITUTED PHENYLALANINE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-07-07 — — WO disclosed
WO-2005061443-A2 BENZOYL-SUBSTITUTED PHENYLALANINE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-07-07 — — WO 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-20160354374-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE TSHR 2333/4885ALDH1A1 3945/4885PBRM1 1544/4885
US-20070142230-A1 Benzoyl-substituted phenylalanineamides PAH, TYR, BCAT2 TSHR 3643/4885ALDH1A1 1239/4885PBRM1 557/4885
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides PAH, PM20D2, FARSA TSHR 3894/4885ALDH1A1 2661/4885PBRM1 571/4885

“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.