SCHEMBL4679852

SCHEMBL4679852

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=S)OCCCc1ccccc1F

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 17/20 0.63
MTOR P42345 1/20 0.52
FKBP4 Q02790 1/20 0.52
FKBP5 Q13451 1/20 0.52

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
SCHEMBL4680524 0.90 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5
SCHEMBL4676057 0.88 FKBP1A (0.61) FKBP1AMTORFKBP4FKBP5
SCHEMBL4678705 0.87 FKBP1A (0.82) FKBP1AMTORFKBP4FKBP5
SCHEMBL8484005 0.85 FKBP1A (0.61) FKBP1AMTORFKBP4FKBP5
SCHEMBL7617893 0.84 FKBP1A (0.58) FKBP1A
SCHEMBL4680565 0.84 FKBP1A (0.78) FKBP1A
SCHEMBL4677127 0.84 FKBP1A (0.66) FKBP1AMTORFKBP4FKBP5
SCHEMBL4675993 0.83 FKBP1A (0.72) FKBP1A
SCHEMBL4676222 0.83 FKBP1A (0.79) FKBP1AMTORFKBP4FKBP5
SCHEMBL4679849 0.82 FKBP1A (0.72) 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 38 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
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
US-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US claimed
EP-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP claimed
JP-2001506231-A 2001-05-15 JP claimed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 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-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
EP-0934263-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1999-08-11 EP disclosed
WO-1998013343-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO 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 237/4885MTOR 548/4885FKBP4 245/4885
US-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 FKBP1A 237/4885MTOR 548/4885FKBP4 245/4885

“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.