SCHEMBL6645692

SCHEMBL6645692

Cc1c(C(=O)O)cc(Br)c(CBr)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
PTPN1 P18031 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MYC P01106 2/20 0.35
GPR35 Q9HC97 2/20 0.33
GAA P10253 1/20 0.33
NR4A1 P22736 1/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
CA12 O43570 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
SCHEMBL7105724 0.80 ALDH1A1 (0.33) KDM4ETDP1LCKFYNGAA
SCHEMBL31454973 0.79 KDM4E (0.44) MEN1KMT2AKDM4ETDP1HSD17B10
SCHEMBL1856696 0.79 MEN1 (0.44) MEN1KMT2AKDM4ETDP1HSD17B10
SCHEMBL18091708 0.79 KDM4E (0.38) MEN1KMT2AKDM4ETDP1HSD17B10
SCHEMBL20380232 0.77 HSD17B10 (0.53) KDM4ETDP1HSD17B10TSHRLCK
SCHEMBL28356853 0.76 MYC (0.50) KDM4EHSD17B10TSHRLCKFYN
SCHEMBL18281055 0.76 AKR1C4 (0.52) MEN1KMT2AKDM4ETDP1HSD17B10
SCHEMBL6828149 0.75 HSD17B10 (0.38) MEN1KMT2AKDM4ETDP1HSD17B10
SCHEMBL6703539 0.74 PTPN1 (0.38) KDM4EHSD17B10TSHRLCKFYN
SCHEMBL9850658 0.73 ACHE (0.36) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 US disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 MEN1 4765/4885KMT2A 3385/4885KDM4E 3410/4885

“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.