SCHEMBL11940447

SCHEMBL11940447

CC(C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.64
PREP P48147 3/20 0.54
ACE P12821 2/20 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
SCHEMBL6788139 0.93 FKBP1A (0.64) FKBP1APREPACE
SCHEMBL6788131 0.93 FKBP1A (0.64) FKBP1APREPACE
SCHEMBL18806512 0.90 FKBP1A (0.61) FKBP1APREPACE
SCHEMBL10343310 0.90 FKBP1A (0.61) FKBP1APREPACE
SCHEMBL6787826 0.89 FKBP1A (0.60) FKBP1APREPACE
SCHEMBL6787817 0.89 FKBP1A (0.60) FKBP1APREPACE
Hydrochloric Acid SCHEMBL8040977 0.89 FKBP1A (0.60) FKBP1APREPACE
Hydrochloric Acid SCHEMBL11217224 0.89 FKBP1A (0.60) FKBP1APREPACE
SCHEMBL23502313 0.88 FKBP1A (0.62) FKBP1APREPACE
SCHEMBL13018403 0.88 FKBP1A (0.59) FKBP1APREPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170119901-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2017-05-04 US disclosed
US-9243028-B2 Facile amide formation via S-nitroso thioacid intermediates WASHINGTON STATE UNIVERSITY (US) 2016-01-26 US disclosed
US-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 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-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS FKBP1A 3393/4885PREP 635/4885ACE 2441/4885
US-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NAAA, TST, ASNS FKBP1A 2824/4885PREP 674/4885ACE 899/4885
US-20170119901-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, FAH FKBP1A 589/4885PREP 61/4885ACE 197/4885

“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.