SCHEMBL3248502

SCHEMBL3248502

FC(F)(F)[C](C(c1ccccc1)C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.37
ACP3 P15309 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
LMNA P02545 2/20 0.33
DPP4 P27487 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
F2 P00734 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1099435 0.79 ATM (0.40) ACP3ATML3MBTL1CYP2D6LMNA
SCHEMBL195532 0.77 SRC (0.50) CES1ACP3ATML3MBTL1CYP2D6
SCHEMBL4026079 0.77 SRC (0.50) CES1ACP3ATML3MBTL1CYP2D6
SCHEMBL7955519 0.77 SRC (0.50) CES1ACP3ATML3MBTL1CYP2D6
SCHEMBL17363627 0.77 HPGD (0.35) ACP3ATML3MBTL1CYP2D6SRC
SCHEMBL28044484 0.77 CYP2D6 (0.44) CES1ACP3ATML3MBTL1CYP2D6
SCHEMBL6971672 0.76 CYP2D6 (0.43) CES1ACP3ATML3MBTL1CYP2D6
SCHEMBL1483540 0.76 EPHX1 (0.46) ATML3MBTL1CYP2D6SRCLMNA
Hydrochloric Acid SCHEMBL2529822 0.76 SRC (0.48) CES1ATML3MBTL1CYP2D6SRC
SCHEMBL29773675 0.76 SRC (0.48) CES1ACP3ATML3MBTL1CYP2D6

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CES1 66/4885ACP3 2951/4885ATM 225/4885

“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.