SCHEMBL29958762

SCHEMBL29958762

Cc1nc(OCCCO)ccc1-c1cccc(COc2ccc(-c3cc(O)n[s+]3[O-])cc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 18/20 0.35
PDCD1 Q15116 5/20 0.34
FFAR1 O14842 2/20 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
SCHEMBL9964378 1.00 CD274 (0.35) CD274PDCD1FFAR1
SCHEMBL9964380 0.97 CD274 (0.36) CD274PDCD1FFAR1
SCHEMBL9964360 0.90 CD274 (0.33) CD274PDCD1FFAR1
SCHEMBL9964357 0.90 CD274 (0.36) CD274PDCD1FFAR1
SCHEMBL9964392 0.89 CD274 (0.33) CD274PDCD1FFAR1
SCHEMBL9934293 0.89 CD274 (0.33) CD274PDCD1FFAR1
SCHEMBL9964389 0.89 CD274 (0.33) CD274PDCD1FFAR1
SCHEMBL9966701 0.88 CD274 (0.43) CD274PDCD1
SCHEMBL9964386 0.88 CD274 (0.36) CD274PDCD1FFAR1
SCHEMBL9964384 0.88 CD274 (0.36) CD274PDCD1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220411490-A1 METHOD TO IDENTIFY COMPOUNDS USEFUL TO TREAT DYSREGULATED LIPOGENESIS, DIABETES, AND RELATED DISORDERS FABP4, LIPC, CNR2 CD274 4767/4885PDCD1 4510/4885FFAR1 53/4885

“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.