SCHEMBL6802604

SCHEMBL6802604

CCCCCCCCCCCCC[C@H](CC(=O)O)OS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.51
MMP2 P08253 5/20 0.43
MMP3 P08254 5/20 0.43
MMP1 P03956 3/20 0.43
MMP7 P09237 1/20 0.43
MAPK1 P28482 4/20 0.43
GMNN O75496 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
HSP90AA1 P07900 2/20 0.43
BLM P54132 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL7775781 0.85 GPR84 (0.50) GPR84MMP2MMP3MMP1MMP7
SCHEMBL6803991 0.85 TP53 (0.40) GPR84LMNAMAPTCYP1A2MEN1
SCHEMBL27348667 0.85 TP53 (0.40) GPR84LMNAMAPTCYP1A2MEN1
SCHEMBL6800288 0.85 TP53 (0.40) GPR84LMNAMAPTCYP1A2MEN1
SCHEMBL6797209 0.85 TP53 (0.40) GPR84LMNAMAPTCYP1A2MEN1
SCHEMBL27361408 0.84 ZDHHC7 (0.42) GPR84MMP2MMP3MMP1LMNA
SCHEMBL15211949 0.84 TP53 (0.41) GPR84TP53FFAR1
SCHEMBL3488909 0.84 TP53 (0.41) GPR84TP53FFAR1
SCHEMBL3080295 0.84 TP53 (0.41) GPR84TP53FFAR1
SCHEMBL13499764 0.84 TP53 (0.41) GPR84TP53FFAR1

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-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B GPR84 664/4885MMP2 694/4885MMP3 1395/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B GPR84 618/4885MMP2 686/4885MMP3 1377/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B GPR84 645/4885MMP2 657/4885MMP3 1283/4885

“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.