SCHEMBL29707247

SCHEMBL29707247

Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(-c2cc(O)n[s+]2[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.34
PDCD1 Q15116 6/20 0.33
CD274 Q9NZQ7 6/20 0.33

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
SCHEMBL9964449 1.00 FFAR1 (0.34) FFAR1PDCD1CD274
SCHEMBL9964429 0.89 ESR1 (0.34) FFAR1PDCD1CD274
SCHEMBL9964431 0.87 MCHR1 (0.34) FFAR1PDCD1CD274
SCHEMBL9964438 0.87 CD274 (0.38) FFAR1PDCD1CD274
SCHEMBL9964433 0.86 FFAR1 (0.45) FFAR1PDCD1CD274
SCHEMBL9964424 0.82 CD274 (0.33) FFAR1PDCD1CD274
SCHEMBL9934293 0.80 CD274 (0.33) FFAR1PDCD1CD274
SCHEMBL9964421 0.79 PDCD1 (0.43) PDCD1CD274
SCHEMBL12632545 0.79 CD274 (0.38) FFAR1PDCD1CD274
SCHEMBL1688198 0.79 FFAR1 (0.33) FFAR1PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346646-A1 COMPOUNDS USEFUL TO TREAT METABOLIC DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2025-11-13 US disclosed
WO-2024155618-A1 COMPOSITIONS AND METHODS FOR TREATING WEIGHT GAIN AND/OR DISORDERS ASSOCIATED WITH ABNORMAL DE NOVO LIPOGENESIS, AND FAT ACCUMULATION CASE WESTERN RESERVE UNIVERSITY (US) 2024-07-25 WO disclosed
US-20220411490-A1 METHOD TO IDENTIFY COMPOUNDS USEFUL TO TREAT DYSREGULATED LIPOGENESIS, DIABETES, AND RELATED DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-12-29 US disclosed
EP-4081535-A1 STAPLED LACTAM CO-AGONISTS OF THE GLUCAGON AND GLP-1 RECEPTORS Merck Sharp & Dohme LLC (US) 2022-11-02 EP disclosed
EP-4081243-A1 STAPLED TRIAZOLE CO-AGONISTS OF THE GLUCAGON AND GLP-1 RECEPTORS Merck Sharp & Dohme LLC (US) 2022-11-02 EP disclosed
EP-4081244-A1 STAPLED OLEFIN CO-AGONISTS OF THE GLUCAGON AND GLP-1 RECEPTORS Merck Sharp & Dohme LLC (US) 2022-11-02 EP disclosed
CN-115243708-A Stapled alkene co-agonists of glucagon and GLP-1 receptor 默沙东有限公司 2022-10-25 CN disclosed
CN-115226391-A Triazolotriazole co-agonists of glucagon and GLP-1 receptor 默沙东有限公司 2022-10-21 CN disclosed
CN-109642908-B Compounds useful for treating metabolic disorders 哈佛学院院长及董事 2022-08-16 CN disclosed
US-11345748-B2 Method of treating idiopathic pulmonary fibrosis and kidney fibrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-05-31 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 (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-11345748-B2 Method of treating idiopathic pulmonary fibrosis and kidney fibrosis CNR2, FABP1, FABP4 FFAR1 17/4885PDCD1 4152/4885CD274 4202/4885
US-20220411490-A1 METHOD TO IDENTIFY COMPOUNDS USEFUL TO TREAT DYSREGULATED LIPOGENESIS, DIABETES, AND RELATED DISORDERS FABP4, LIPC, CNR2 FFAR1 53/4885PDCD1 4510/4885CD274 4767/4885

“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.