SCHEMBL4676166

SCHEMBL4676166

CCC(C)(C)C(=O)C(=O)N1CCC(C[C@H](C)c2ccc(OC)c(OC)c2)C1C(O)=S

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.44
FKBP5 Q13451 7/20 0.42
FKBP4 Q02790 6/20 0.42

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
SCHEMBL5280467 0.85 FKBP1A (0.43) FKBP1A
SCHEMBL5286046 0.83 FKBP1A (0.41) FKBP1AFKBP5FKBP4
SCHEMBL5275386 0.83 FKBP1A (0.41) FKBP1AFKBP5FKBP4
SCHEMBL5274964 0.83 FKBP1A (0.38) FKBP1A
SCHEMBL5284378 0.81 FKBP1A (0.40) FKBP1AFKBP5FKBP4
SCHEMBL7537467 0.78 FKBP1A (0.52) FKBP1AFKBP5FKBP4
SCHEMBL5965922 0.78 FKBP1A (0.53) FKBP1AFKBP5FKBP4
SCHEMBL5280408 0.77 FKBP1A (0.41) FKBP1A
SCHEMBL5283096 0.77 FKBP1A (0.41) FKBP1A
SCHEMBL5282825 0.76 FKBP1A (0.40) 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 7 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
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
EP-1900726-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2008-03-19 EP disclosed
EP-1626043-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2006-02-15 EP disclosed
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
US-5990131-A OF GIVEN FORMULA WHICH HAVE A HIGH AFFINITY FOR FKBPS (FK506 BINDING PROTEINS, A CLASS OF IMMUNOPHILINS) ARE POTENT ROTAMASE INHIBITORS AND EXHIBIT EXCELLENT NEUROTROPHIC EFFECTS; NO IMMUNOSUPPRESSIVE ACTIVITY GPI NIL HOLDINGS INC. (US) 1999-11-23 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 955/4885FKBP5 810/4885FKBP4 1045/4885

“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.