SCHEMBL5852129

SCHEMBL5852129

O=S(=O)(CCCCCI)CCCC(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.36
FAAH O00519 3/20 0.33
CES2 O00748 2/20 0.33

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
SCHEMBL6849074 0.92 CES1 (0.31) CES1
SCHEMBL7555390 0.86 CES1 (0.37) CES1FAAHCES2
SCHEMBL7552607 0.86 CES1 (0.37) CES1FAAHCES2
SCHEMBL7559579 0.86 CES1 (0.37) CES1FAAHCES2
SCHEMBL7553307 0.86 CES1 (0.37) CES1FAAHCES2
SCHEMBL7552435 0.86 CES1 (0.37) CES1FAAHCES2
SCHEMBL7058118 0.86 CES1 (0.37) CES1FAAHCES2
SCHEMBL14775555 0.85 CES1 (0.35) CES1FAAHCES2
SCHEMBL14775193 0.83 CES1 (0.38) CES1FAAHCES2
SCHEMBL7555490 0.81 CES1 (0.36) CES1FAAHCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7145015-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain that latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2006-12-05 US disclosed
US-20050182081-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-18 US disclosed
US-6878750-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2005-04-12 US disclosed
US-20030050324-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-03-13 US disclosed
US-6495607-B2 8,9-DIHYDRO-7H-BENZOCYCLOHEPTENE DERIVATIVES ARE USEFUL FOR PHOPHYLAXIS AND THERAPY OF OSTEOPOROSIS(HAVE SELECTIVE ESTROGENIC ACTIVITY ON BONES) SCHERING AG (DE) 2002-12-17 US disclosed
US-20020068765-A1 BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-06 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 (3 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-20020068765-A1 BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS CYP19A1, ESRRA, SULT2A1 CES1 158/4885FAAH 1194/4885CES2 2226/4885
US-20050182081-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents CYP19A1, ESR2, ESRRA CES1 189/4885FAAH 2135/4885CES2 1312/4885
US-20030050324-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents CYP19A1, ESRRA, SULT2A1 CES1 158/4885FAAH 1194/4885CES2 2226/4885

“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.