Sugi Predict

Sugi Predict / Compounds / SCHEMBL10240551

SCHEMBL10240551

SCHEMBL10240551

CCc1ccc(CC)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ MAP2K2 P36507 1/20 0.36

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
SCHEMBL15308657 0.86 TRPA1 (0.40) TRPA1CYP1A2CYP2A6LMNAALDH1A1
SCHEMBL10158653 0.86 BACE1 (0.36) TRPA1LMNAMAPTMAPK1TAAR1
SCHEMBL15471656 0.85 ALOX5AP (0.41) LMNAALDH1A1MAPTMAPK1NPC1
SCHEMBL13226798 0.85 CYP4F2 (0.37) CYP1A2LMNAALDH1A1MAPTMAPK1
SCHEMBL22754128 0.85 TRPA1 (0.39) TRPA1CYP1A2CYP2A6LMNAALDH1A1
SCHEMBL24822460 0.85 TRPA1 (0.39) TRPA1CYP1A2CYP2A6LMNAALDH1A1
SCHEMBL14491132 0.85 CYP4F2 (0.47) LMNAMAPTMAPK1KDM4CKDM5A
SCHEMBL2389571 0.85 TAAR1 (0.45) TRPA1CYP1A2CYP2A6LMNAALDH1A1
SCHEMBL24160346 0.85 KDM4C (0.35) LMNAMAPTMAPK1TAAR1KDM4C
SCHEMBL1695325 0.85 CSNK2A1 (0.45) TAAR1KDM4CBACE1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225097-A1 PYRIMIDOPYRIMIDONE COMPOUNDS AND METHODS OF USE THEREOF SOLTEGO, INC. (US) 2023-11-23 — — WO disclosed
EP-4198030-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF Shanghaitech University (CN) 2023-06-21 — — EP disclosed
US-20230145305-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-11 — — US disclosed
WO-2022268066-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2022-12-29 — — WO disclosed
WO-2022033548-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF 上海科技大学 2022-02-17 — — WO disclosed
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 — — EP disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 — — WO disclosed
EP-3330259-B1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2020-06-10 — — EP disclosed
EP-3222696-B1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION USED THEREFOR SAMSUNG DISPLAY CO LTD (KR) 2019-09-11 — — EP disclosed
EP-3081621-B1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION USED THEREFOR SAMSUNG DISPLAY CO LTD (KR) 2019-06-12 — — EP disclosed
EP-3330259-A1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-06 — — EP disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 — — US disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 — — US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 — — US disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 — — US disclosed
US-8106070-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-01-31 — — US disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 — — US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 — — US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 — — 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 (5 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-20230145305-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK TRPA1 3737/4885CYP1A2 4563/4885CYP2A6 4521/4885
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS BRS3, GPR119, GIPR TRPA1 245/4885CYP1A2 4009/4885CYP2A6 3651/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR TRPA1 245/4885CYP1A2 4009/4885CYP2A6 3651/4885
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators BRS3, INSR, INSRR TRPA1 274/4885CYP1A2 3432/4885CYP2A6 3567/4885
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 TRPA1 119/4885CYP1A2 2495/4885CYP2A6 2734/4885

“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.