SCHEMBL6645293

SCHEMBL6645293

CCC(C)(C(=O)O)C(=O)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
RIPK1 Q13546 4/20 0.43
SNCA P37840 1/20 0.38
ACKR3 P25106 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
DHFR P00374 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
CXCL12 P48061 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL6945689 0.79 CES2 (0.53) CES2CES1RIPK1ACKR3ALDH1A1
SCHEMBL13151879 0.78 CES2 (0.61) CES2CES1RIPK1SNCAACKR3
SCHEMBL7804366 0.76 CES2 (0.59) CES2CES1RIPK1SNCAACKR3
SCHEMBL2097707 0.76 CES2 (0.59) CES2CES1RIPK1SNCAACKR3
SCHEMBL9341491 0.76 CES2 (0.59) CES2CES1RIPK1SNCAACKR3
SCHEMBL9238566 0.76 CES2 (0.50) CES2CES1RIPK1ACKR3ALDH1A1
SCHEMBL6945684 0.73 CES2 (0.50) CES2CES1RIPK1ACKR3ALDH1A1
SCHEMBL9234534 0.73 CES2 (0.46) CES2CES1ALDH1A1MEN1LMNA
SCHEMBL28240892 0.72 RIPK1 (0.49) CES2CES1RIPK1ALDH1A1
SCHEMBL1748151 0.72 CES1 (0.63) CES2CES1SNCAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CES2 3507/4885CES1 1886/4885RIPK1 754/4885

“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.