SCHEMBL13377306

SCHEMBL13377306

Cc1c(C(F)(F)F)n(C)c2c(c1=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13377464 0.97 RXFP1 (0.36) RXFP1LMNATSHRNPSR1
SCHEMBL13377457 0.76 — —
SCHEMBL13377320 0.76 RXFP1 (0.36) RXFP1LMNATSHRNPSR1
SCHEMBL13377365 0.72 RXFP1 (0.40) RXFP1LMNATSHRNPSR1
SCHEMBL21957120 0.69 AR (0.41) RXFP1
SCHEMBL21956885 0.67 RXFP1 (0.35) RXFP1LMNATSHRNPSR1
SCHEMBL19272328 0.65 RAB9A (0.40) RXFP1LMNANPSR1KDM4E
SCHEMBL17085625 0.65 KDM4E (0.35) RXFP1LMNANPSR1KDM4E
SCHEMBL22017353 0.65 POLB (0.35) RXFP1LMNATSHRNPSR1
SCHEMBL22016172 0.65 RXFP1 (0.33) RXFP1LMNATSHRNPSR1

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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 — — US disclosed
US-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 — — 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-20100099561-A1 HETEROBICYCLIC ALKYLTHIO-BRIDGED ISOXAZOLINES UQCRB, CCNB3, CCNB1 RXFP1 797/4885LMNA 2155/4885TSHR 2265/4885

“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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