SCHEMBL5283101

SCHEMBL5283101

CCC(C)(C)C(=O)C(=O)N1CCC[C@@]1(CCCc1ccccc1Cl)C(O)=S

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.36
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4680530 0.97 FKBP1A (0.37) FKBP1A
SCHEMBL6429261 0.91 FKBP1A (0.37) FKBP1A
SCHEMBL5280412 0.90 RIPK1 (0.37) FKBP1A
SCHEMBL5282826 0.88 FKBP1A (0.35) FKBP1A
SCHEMBL4679856 0.87 FKBP1A (0.37) FKBP1A
SCHEMBL4678713 0.85 FKBP1A (0.48) FKBP1A
SCHEMBL5286050 0.84 FKBP1A (0.39) FKBP1A
SCHEMBL4680570 0.82 FKBP1A (0.47) FKBP1A
SCHEMBL5280472 0.82 FKBP1A (0.51) FKBP1A
SCHEMBL5275390 0.80 FKBP1A (0.39) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626043-B1 Heterocyclic thioesters MGI GP INC (US) 2007-12-12 EP claimed
US-20050148637-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. 2005-07-07 US disclosed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 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-20050148637-A1 Heterocyclic ketone and thioester compounds and uses BDNF, NTRK2, NTRK1 FKBP1A 955/4885ALDH1A1 1197/4885HTT 7/4885

“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.