SCHEMBL4683497

SCHEMBL4683497

O=S(=O)(Cc1c(F)cccc1Cl)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
AKR1B1 P15121 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
DAO P14920 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
CYP2A13 Q16696 1/20 0.40

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
SCHEMBL16914843 0.80 KDM4E (0.54) KDM4EAKR1B1TAAR1GAARXFP1
SCHEMBL31568330 0.80 KDM4E (0.54) KDM4EAKR1B1TAAR1GAARXFP1
SCHEMBL31503471 0.79 TAAR1 (0.56) KDM4EAKR1B1TAAR1GAARXFP1
SCHEMBL139624 0.76 PTGS1 (0.53) KDM4ETAAR1GAARXFP1LMNA
SCHEMBL16914878 0.75 KDM4E (0.49) KDM4EAKR1B1TAAR1GAARXFP1
SCHEMBL13090180 0.74 KMT2A (0.49) AKR1B1TAAR1GAALMNAKMT2A
SCHEMBL14601735 0.73 KDM4E (0.55) KDM4EAKR1B1TAAR1GAARXFP1
SCHEMBL27635788 0.72 TAAR1 (0.57) KDM4ETAAR1GAALMNAHTT
SCHEMBL3040407 0.71 TAAR1 (0.61) KDM4ETAAR1GAARXFP1LMNA
SCHEMBL28596017 0.69 TAAR1 (0.63) KDM4ETAAR1GAALMNAHTT

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-1654232-A4 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES MERCK & CO INC (US) 2008-11-12 EP disclosed
US-7332499-B2 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK & CO., INC. (US) 2008-02-19 US disclosed
US-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides MERCK SHARP & DOHME CORP. 2006-11-02 US disclosed
EP-1654232-A1 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2006-05-10 EP disclosed
WO-2005016886-A1 SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES MERCK & CO., INC. (US) 2005-02-24 WO 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-20060247229-A1 Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides BDKRB1, BDKRB2, CNR2 KDM4E 3181/4885AKR1B1 1118/4885TAAR1 584/4885

“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.