SCHEMBL20907799

SCHEMBL20907799

NCc1nsc(C(F)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL24369192 0.69
SCHEMBL20907971 0.69 ALDH1A1 (0.41) ALDH1A1
SCHEMBL13129985 0.64 CNR2 (0.31) ALDH1A1
SCHEMBL20907802 0.62
SCHEMBL1569158 0.61 IDH1 (0.33) ALDH1A1
SCHEMBL23796435 0.61
SCHEMBL19370103 0.61 UBE2T (0.33) ALDH1A1
SCHEMBL412107 0.59 HDAC6 (0.36)
SCHEMBL13623239 0.58
Hydrochloric Acid SCHEMBL439920 0.58 HDAC6 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653681-B2 Analgesic compounds RECURIUM IP HOLDINGS, LLC (US) 2020-05-19 US disclosed
US-20190111031-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2019-04-18 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-20190111031-A1 ANALGESIC COMPOUNDS OPRK1, OPRL1, OPRM1 ALDH1A1 113/4885
US-10653681-B2 Analgesic compounds OPRK1, OPRL1, OPRM1 ALDH1A1 113/4885

“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.