SCHEMBL6423663

SCHEMBL6423663

Cc1c([C@](C)(C(=O)O)C2CCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PGR P06401 2/20 0.32
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
GPR6 P46095 1/20 0.31

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
SCHEMBL6424162 0.98 TSHR (0.35) HSD11B1HPGDTSHRSIGMAR1CYP1A2
SCHEMBL6456664 0.95 PDE2A (0.35) KCNH2
SCHEMBL6453546 0.93 PDE2A (0.35) KCNH2
SCHEMBL6425575 0.91 AKR1C3 (0.39) CYP1A2CYP2D6
SCHEMBL6423598 0.91 MEN1 (0.33) HSD11B1PGR
SCHEMBL6428233 0.89 HSD11B1 (0.34) HSD11B1HPGDTSHRSIGMAR1CYP1A2
SCHEMBL6424291 0.89 AKR1C3 (0.39) CYP1A2CYP2D6
SCHEMBL6425959 0.89 MEN1 (0.33) HSD11B1PGR
SCHEMBL6424758 0.89 ALDH1A1 (0.37) HSD11B1ALDH1A1
SCHEMBL6425052 0.88 USP2 (0.36) HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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 (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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 HSD11B1 1120/4885HPGD 15/4885TSHR 3525/4885

“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.