SCHEMBL27218882

SCHEMBL27218882

Cc1nc(N)nc(SCc2ncc(-c3cccc(C(F)(F)F)c3)o2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GRIN1 Q05586 4/20 0.36
▸ GRIN2B Q13224 4/20 0.36
▸ ATR Q13535 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 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
SCHEMBL31494380 0.86 ALDH1A1 (0.47) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL27218763 0.86 ALDH1A1 (0.47) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL27218857 0.85 ALDH1A1 (0.41) ALDH1A1USP2HPGDSMN1; SMN2ADORA2A
SCHEMBL31494355 0.85 ALDH1A1 (0.45) ALDH1A1USP2HPGDSMN1; SMN2ADORA2A
SCHEMBL27218706 0.85 ALDH1A1 (0.45) ALDH1A1USP2HPGDSMN1; SMN2ADORA2A
SCHEMBL31494325 0.85 ALDH1A1 (0.45) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL27218765 0.85 ALDH1A1 (0.45) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL31494315 0.83 MAPK1 (0.45) ALDH1A1USP2HPGDSMN1; SMN2ADORA2A
SCHEMBL27218804 0.83 MAPK1 (0.45) ALDH1A1USP2HPGDSMN1; SMN2ADORA2A
SCHEMBL31494347 0.82 SMN1; SMN2 (0.43) ALDH1A1USP2HPGDSMN1; SMN2BRD4

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
EP-4232448-B1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR Halo Therapeutics Ltd (GB) 2025-05-07 — — EP claimed
EP-3956323-B1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Halo Therapeutics Ltd (GB) 2025-03-05 — — EP claimed
EP-4232448-B1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR Halo Therapeutics Ltd (GB) 2025-05-07 — — EP disclosed
EP-3956323-B1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Halo Therapeutics Ltd (GB) 2025-03-05 — — EP disclosed
US-20240158382-A1 Agonists Of Free Fatty Acid Receptor 1 And Their Use In Diseases Associated With Said Receptor Halo Therapeutics Ltd (GB) 2024-05-16 — — 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 (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-20240158382-A1 Agonists Of Free Fatty Acid Receptor 1 And Their Use In Diseases Associated With Said Receptor FFAR1, FFAR2, FFAR3 ALDH1A1 1767/4885USP2 2633/4885HPGD 3042/4885

“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.

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