SCHEMBL2581322

SCHEMBL2581322

CCc1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
COMT P21964 1/20 0.39
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
DHODH Q02127 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ALPI P09923 1/20 0.30

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
SCHEMBL5086281 0.84 HCAR2 (0.42) HCAR2HPGDTSHRCOMTCCNA2
SCHEMBL2876826 0.84 HCAR2 (0.47) HCAR2HPGDTSHRALDH1A1GAA
SCHEMBL1206509 0.83 HPGD (0.56) HCAR2HPGDTSHRCOMTALDH1A1
SCHEMBL2870668 0.81 HCAR2 (0.50) HCAR2HPGDTSHR
SCHEMBL2873861 0.80 HCAR2 (0.47) HCAR2HPGDTSHR
SCHEMBL2686408 0.79 LOXL2 (0.40) HPGDTSHRHSP90AA1HSP90AB1
SCHEMBL2870689 0.79 HCAR2 (0.46) HCAR2HPGDTSHRDHODH
SCHEMBL3664304 0.79 HPGD (0.37) HPGDTSHR
SCHEMBL16629836 0.79 HPGD (0.41) HPGDTSHRDHODH
Hydrochloric Acid SCHEMBL12983103 0.78 LOXL2 (0.42) HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 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 (9 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HCAR2 3961/4885HPGD 1093/4885TSHR 4824/4885
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 HCAR2 1152/4885HPGD 372/4885TSHR 614/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 HCAR2 31/4885HPGD 2236/4885TSHR 2351/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF HCAR2 1375/4885HPGD 506/4885TSHR 3955/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HCAR2 34/4885HPGD 1705/4885TSHR 2545/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HCAR2 34/4885HPGD 1705/4885TSHR 2545/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HCAR2 3961/4885HPGD 1093/4885TSHR 4824/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HCAR2 31/4885HPGD 2236/4885TSHR 2351/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HCAR2 3961/4885HPGD 1093/4885TSHR 4824/4885

“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.