SCHEMBL4069430

SCHEMBL4069430

CC(O)(C(N)=O)c1cccc(C[CH]C(O)CC(C(=O)NO)C2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 2/20 0.33
CACNA1B Q00975 1/20 0.33
MMP1 P03956 1/20 0.33
FCER2 P06734 1/20 0.33
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
PLAU P00749 1/20 0.31

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
SCHEMBL4067524 0.81 NPC1 (0.40) SMN1; SMN2MMP1FCER2
SCHEMBL4070843 0.80 CCR1 (0.39) EPHX1SMYD3
SCHEMBL4236693 0.77
SCHEMBL4069330 0.76 CCR1 (0.42) EPHX1SMYD3
SCHEMBL4069433 0.75 EPHX1 (0.40) EPHX1SMN1; SMN2KCNH2CACNA1BMMP1
SCHEMBL4069101 0.75 C3AR1 (0.48)
SCHEMBL7583311 0.73 CYP2C19 (0.36) EPHX1
SCHEMBL4068348 0.71 C3AR1 (0.43) SMN1; SMN2MMP1FCER2
SCHEMBL4071583 0.70 TSHR (0.34) EPHX1MMP1FCER2
SCHEMBL3837103 0.68 CCR1 (0.51) SMN1; SMN2MMP1FCER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 EPHX1 805/4885SMN1; SMN2 3291/4885KCNH2 3386/4885

“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.