SCHEMBL3534455

SCHEMBL3534455

Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
CDK7 P50613 1/20 0.59
CCNH P51946 1/20 0.59
CCNA1 P78396 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B2 P37059 2/20 0.51
KDM1A O60341 2/20 0.51
TP53 P04637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
METAP2 P50579 1/20 0.50

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
SCHEMBL27927088 0.84 TP53 (0.65) FFAR4LMNATP53KEAP1NFE2L2
SCHEMBL1631204 0.82 HSD17B2 (0.71) LMNAHSD17B2TP53MEN1KMT2A
SCHEMBL3782497 0.81 PTGES2 (0.64) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL15228509 0.81 MCL1 (0.70) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL23200380 0.80 KDM1A (0.79) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL29083807 0.80 FFAR4 (0.55) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL16325550 0.80 FFAR4 (0.63) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL12396096 0.80 KEAP1 (0.55) LMNASMN1; SMN2TP53MEN1KMT2A
SCHEMBL3528690 0.78 KDM1A (0.61) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL7571635 0.77 FFAR1 (0.66) FFAR1CDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
CN-1863778-A Compounds and methods for treating dyslipidemia LILLY CO ELI (US) 2006-11-15 CN disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 FFAR1 120/4885CDK1 4021/4885CCNB1 1259/4885

“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.