SCHEMBL6424159

SCHEMBL6424159

Cc1c([C@H](CC2CCCC2)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL6423656 0.98 TSHR (0.34) TSHRSIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL6453537 0.95 PDE2A (0.33)
SCHEMBL6456659 0.93 PDE2A (0.33)
SCHEMBL6425954 0.91 USP30 (0.33) CYP3A4CYP2D6HSD11B1
SCHEMBL6424288 0.91 AKR1C3 (0.39) CYP1A2CYP2D6
SCHEMBL6428226 0.90 TSHR (0.34) TSHRSIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL6425574 0.90 AKR1C3 (0.39) CYP1A2CYP2D6
SCHEMBL6423595 0.90 MEN1 (0.32) HSD11B1
SCHEMBL6423796 0.89 METAP2 (0.36) ALDH1A1HSD11B1
SCHEMBL6424977 0.88 TDP1 (0.36) ALDH1A1HSD11B1

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 TSHR 3525/4885SIGMAR1 2955/4885CYP1A2 56/4885

“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.