SCHEMBL3558744

SCHEMBL3558744

Nc1cc(C(O)C(O)c2cc(Br)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PNMT P11086 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
SOS1 Q07889 7/20 0.34
KRAS P01116 6/20 0.34
ACP1 P24666 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
CES2 O00748 1/20 0.30
PDE2A O00408 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29426986 0.81 TSHR (0.46) NOTUMTSHRMAPK1IDO1ACP1
SCHEMBL134690 0.81 TSHR (0.46) NOTUMTSHRMAPK1IDO1ACP1
SCHEMBL3552854 0.79 TSHR (0.36) TSHRMAPK1PNMTIDO1TDO2
SCHEMBL3584815 0.77 NOTUM (0.45) NOTUMPNMTIDO1TDO2ACP1
SCHEMBL631573 0.77 NOTUM (0.45) NOTUMPNMTIDO1TDO2ACP1
SCHEMBL3594814 0.77 NOTUM (0.45) NOTUMPNMTIDO1TDO2ACP1
SCHEMBL23149865 0.74 NOTUM (0.39) NOTUMPNMTIDO1TDO2ACP1
SCHEMBL7786113 0.74 PNMT (0.44) NOTUMPNMTIDO1TDO2ACP1
SCHEMBL6599809 0.74 NOTUM (0.41) NOTUMPNMTIDO1TDO2ACP1
SCHEMBL18334820 0.73 KIF11 (0.39) NOTUMTSHRMAPK1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 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 (2 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-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 NOTUM 173/4885TSHR 3505/4885MAPK1 2498/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 NOTUM 173/4885TSHR 3505/4885MAPK1 2498/4885

“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.