SCHEMBL765928

SCHEMBL765928

CC(C)c1cccc(CCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
PTPRB P23467 1/20 0.53
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
PTEN P60484 1/20 0.53
PTPMT1 Q8WUK0 1/20 0.53
FFAR1 O14842 6/20 0.52
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
FFAR4 Q5NUL3 3/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXRA P19793 1/20 0.45

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
SCHEMBL13524569 0.91 FFAR1 (0.56) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL765727 0.90 SMN1; SMN2 (0.58) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL11436467 0.89 SMN1; SMN2 (0.56) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL14297620 0.89 CYSLTR2 (0.58) CYSLTR2CYSLTR1MAPTSMN1; SMN2
Rubidium SCHEMBL11436472 0.89 SMN1; SMN2 (0.56) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL11618279 0.88 RAB9A (0.45) CYSLTR2CYSLTR1RAB9AALDH1A1L3MBTL1
Phenyl Propionic Acid SCHEMBL28543455 0.87 FFAR1 (0.51) KEAP1FFAR1CYSLTR2CYSLTR1RAB9A
SCHEMBL10290026 0.87 CYSLTR2 (0.60) CYSLTR2CYSLTR1MAPTSMN1; SMN2
SCHEMBL10290027 0.87 CYSLTR2 (0.60) CYSLTR2CYSLTR1MAPTSMN1; SMN2
SCHEMBL5914159 0.87 KEAP1 (0.52) KEAP1PTPRBCDC25ACDC25BPTEN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106456662-A Compositions of pentosan polysulfate for oral administration and methods of use thereof 奥利金制药公司 2017-02-22 CN claimed
CN-105233294-A Phenylalkylcarboxylic acid delivery agent EMISPHERE TECH INC 2016-01-13 CN claimed
CN-101616583-A Phenylalkylcarboxylic acid delivery agents EMISPHERE TECH INC 2009-12-30 CN claimed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
EP-3256451-B1 IMIDAZOLYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS INC (US) 2021-10-20 EP disclosed
US-11059792-B2 Imidazolyl tricyclic enones as antioxidant inflammation modulators REATA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
CN-101616583-A Phenylalkylcarboxylic acid delivery agents EMISPHERE TECH INC 2009-12-30 CN disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (11 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-11059792-B2 Imidazolyl tricyclic enones as antioxidant inflammation modulators MPO, GPX4, NFE2L2 KEAP1 66/4885PTPRB 2714/4885CDC25A 2593/4885
US-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KEAP1 1202/4885PTPRB 3762/4885CDC25A 2378/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 KEAP1 1899/4885PTPRB 4686/4885CDC25A 3565/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KEAP1 1465/4885PTPRB 4560/4885CDC25A 1941/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN KEAP1 1202/4885PTPRB 3762/4885CDC25A 2378/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KEAP1 1465/4885PTPRB 4560/4885CDC25A 1941/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS KEAP1 1295/4885PTPRB 4468/4885CDC25A 3112/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS KEAP1 1295/4885PTPRB 4468/4885CDC25A 3112/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KEAP1 1202/4885PTPRB 3762/4885CDC25A 2378/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KEAP1 1465/4885PTPRB 4560/4885CDC25A 1941/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KEAP1 1202/4885PTPRB 3762/4885CDC25A 2378/4885

“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.