SCHEMBL1617892

SCHEMBL1617892

FC(F)C(F)(F)Oc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MAOB P27338 5/20 0.42
CETP P11597 4/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
PRKCA P17252 2/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL498326 0.86 PIM1 (0.48) PIM1PIM2CETPABL1BCR
SCHEMBL14241255 0.85 MAOB (0.40) TRPV1MAOBCETPKMT2ALMNA
SCHEMBL14227136 0.82 MAOB (0.38) MAOBCETPKMT2ALMNAPOLB
SCHEMBL29351368 0.82 MAOB (0.46) MAOBCETP
SCHEMBL278324 0.82 MAOB (0.46) MAOBCETP
SCHEMBL9169333 0.79 PIM1 (0.42) PIM1PIM2CETPABL1BCR
SCHEMBL5180256 0.79 MAPT (0.41) CETPKMT2A
SCHEMBL14157395 0.78 MAOB (0.43) MAOBKMT2ALMNA
SCHEMBL11720083 0.78 MAOB (0.43) MAOBKMT2A
SCHEMBL4875079 0.78 MAOB (0.43) MAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115051032-A Lithium ion battery electrolyte with negative electrode targeting passivation effect and preparation method thereof 华中科技大学 2022-09-13 CN claimed
CN-115051032-A Lithium ion battery electrolyte with negative electrode targeting passivation effect and preparation method thereof 华中科技大学 2022-09-13 CN disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors SCN1A, SCN1B, SCN5A TRPV1 21/4885PIM1 3612/4885PIM2 3389/4885
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 TRPV1 3613/4885PIM1 3366/4885PIM2 3261/4885

“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.