SCHEMBL4678713

SCHEMBL4678713

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCCc1ccccc1)C(O)=S

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 14/20 0.48

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
SCHEMBL4680570 0.97 FKBP1A (0.47) FKBP1A
SCHEMBL5966030 0.92 FKBP1A (0.49) FKBP1A
SCHEMBL4677132 0.90 FKBP1A (0.40) FKBP1A
SCHEMBL4680530 0.88 FKBP1A (0.37) FKBP1A
SCHEMBL4679856 0.88 FKBP1A (0.37) FKBP1A
SCHEMBL5286050 0.87 FKBP1A (0.39) FKBP1A
SCHEMBL5275390 0.87 FKBP1A (0.39) FKBP1A
SCHEMBL5280472 0.87 FKBP1A (0.51) FKBP1A
SCHEMBL5274967 0.86 FKBP1A (0.38) FKBP1A
SCHEMBL5283101 0.85 FKBP1A (0.36) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900726-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2008-03-19 EP claimed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
EP-1626043-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2006-02-15 EP claimed
EP-0934263-B8 NON-IMMUNOSUPPRESSANT FKBP ROTAMASE INHIBITORS MGI GP INC (US) 2006-01-18 EP claimed
US-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2005-03-17 US claimed
EP-0934263-A4 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARM INC (US) 2002-11-06 EP claimed
JP-2002516844-A 2002-06-11 JP claimed
US-6384056-B1 COGNITION ACTIVATORS AND NERVE AND VISION DISORDERS GPI NIL HOLDINGS, INC. 2002-05-07 US claimed
US-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2002-02-07 US claimed
JP-2001506231-A 2001-05-15 JP claimed
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP claimed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO claimed
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 claimed
EP-0934263-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1999-08-11 EP claimed
WO-1998013343-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
EP-1900726-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2008-03-19 EP disclosed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP disclosed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 US disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO 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 (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-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 FKBP1A 237/4885
US-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 FKBP1A 237/4885

“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.