SCHEMBL6415243

SCHEMBL6415243

CN(Cc1cccc(C(F)(F)F)c1)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TACR1 P25103 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
PDK1 Q15118 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
MTOR P42345 1/20 0.44
SERPINE1 P05121 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
PTGES O14684 1/20 0.43
MAPT P10636 1/20 0.43
CETP P11597 1/20 0.43
ACP3 P15309 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL6415244 1.00 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1TACR1
SCHEMBL6417197 0.88 MTOR (0.44) MEN1KMT2AKDM4EALDH1A1TACR1
SCHEMBL6417192 0.88 MTOR (0.44) MEN1KMT2AKDM4EALDH1A1TACR1
SCHEMBL6412445 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1SLC6A2
SCHEMBL6412442 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1SLC6A2
SCHEMBL6412477 0.80 NPC1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL6412481 0.80 NPC1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL6413145 0.80 AOC3 (0.60) MEN1KMT2APTGES
SCHEMBL6413580 0.80 RIPK1 (0.54) MEN1KMT2AKDM4EALDH1A1TACR1
SCHEMBL6413576 0.80 RIPK1 (0.54) MEN1KMT2AKDM4EALDH1A1TACR1

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-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 MEN1 4741/4885KMT2A 1208/4885KDM4E 1795/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MEN1 4837/4885KMT2A 1330/4885KDM4E 847/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MEN1 4837/4885KMT2A 1330/4885KDM4E 847/4885

“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.