SCHEMBL3552854

SCHEMBL3552854

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PNMT P11086 1/20 0.36
SOS1 Q07889 7/20 0.34
KRAS P01116 6/20 0.34
NR2E1 Q9Y466 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CES2 O00748 1/20 0.30
PDE2A O00408 1/20 0.30
TACR1 P25103 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
SCHEMBL5473657 0.81 TSHR (0.46) TSHRMAPK1NR2E1IDO1CES2
SCHEMBL3558744 0.79 NOTUM (0.38) TSHRMAPK1PNMTSOS1KRAS
SCHEMBL21916355 0.72 GABRA1 (0.34) TSHRPNMTIDO1TDO2CES2
SCHEMBL12676168 0.72 SOS1 (0.44) TSHRMAPK1PNMTSOS1KRAS
SCHEMBL3552852 0.71 RXRA (0.39) TSHRMAPK1NR2E1IDO1
SCHEMBL12587301 0.71 SOS1 (0.43) TSHRMAPK1PNMTSOS1KRAS
SCHEMBL30006316 0.71 SOS1 (0.43) TSHRMAPK1PNMTSOS1KRAS
SCHEMBL20327218 0.71 SOS1 (0.43) TSHRMAPK1PNMTSOS1KRAS
SCHEMBL394717 0.70 TSHR (0.56) TSHRMAPK1NR2E1IDO1CES2
SCHEMBL130383 0.70 TSHR (0.56) TSHRMAPK1NR2E1IDO1CES2

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
EP-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
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 TSHR 3505/4885MAPK1 2498/4885PNMT 4608/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 TSHR 3505/4885MAPK1 2498/4885PNMT 4608/4885

“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.