SCHEMBL1842933

SCHEMBL1842933

C[C@@](O)(c1ccc2cc(C(=O)O)ccc2c1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.59
KDM4E B2RXH2 1/20 0.47
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
HSD11B1 P28845 7/20 0.43
RARA P10276 2/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
SRD5A2 P31213 2/20 0.42
PLA2G2D Q9UNK4 1/20 0.40

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
SCHEMBL263313 1.00 PTPN1 (0.59) PTPN1KDM4ERARBRARGHSD11B1
SCHEMBL269488 0.86 PTPN1 (0.43) PTPN1HSD11B1
SCHEMBL264109 0.83 CYP17A1 (0.50) PTPN1KDM4EHSD11B1PDK1PDK2
SCHEMBL284052 0.83 HSD11B1 (0.42) PTPN1KDM4EHSD11B1
SCHEMBL30950643 0.83 PTPN1 (0.57) PTPN1KDM4ERARBRARGRARA
SCHEMBL1842337 0.83 PTPN1 (0.57) PTPN1KDM4ERARBRARGRARA
SCHEMBL2879876 0.83 SRD5A2 (0.55) RARBRARGHSD11B1SRD5A2
SCHEMBL1021804 0.83 SRD5A2 (0.55) RARBRARGHSD11B1SRD5A2
SCHEMBL263623 0.81 PTPN1 (0.58) PTPN1KDM4ERARBRARGRARA
SCHEMBL1284827 0.81 PTPN1 (0.68) PTPN1KDM4ESRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
EP-2091944-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer, Inc. (US) 2009-08-26 EP disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 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 (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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds TRPV1, OPRL1, CNR1 PTPN1 3332/4885KDM4E 4164/4885RARB 1779/4885

“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.