SCHEMBL4060434

SCHEMBL4060434

CNC(=O)[C@H](CC1CCC(F)(F)CC1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
CCR1 P32246 11/20 0.40
LAP3 P28838 2/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
REN P00797 4/20 0.39

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
SCHEMBL4068414 0.87 CCR1 (0.46) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL7583549 0.78 REN (0.41) MMP1MMP2MMP3CCR1REN
Hydrochloric Acid SCHEMBL7365363 0.78 METAP2 (0.50) MMP1MMP2CCR1REN
Hydrochloric Acid SCHEMBL27673666 0.78 METAP2 (0.50) MMP1MMP2CCR1REN
Hydrochloric Acid SCHEMBL10676162 0.78 METAP2 (0.50) MMP1MMP2CCR1REN
Hydrochloric Acid SCHEMBL10676167 0.78 METAP2 (0.50) MMP1MMP2CCR1REN
SCHEMBL3837106 0.78 CCR1 (0.60) MMP1MMP2MMP3CCR1LAP3
SCHEMBL7394875 0.78 LAP3 (0.46) CCR1LAP3ANPEPRNPEPDNPEP
SCHEMBL4069087 0.77 METAP2 (0.45) MMP1CCR1REN
SCHEMBL4065521 0.76 CCR1 (0.58) CCR1LAP3ANPEPRNPEPDNPEP

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 3 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

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 MMP1 3704/4885MMP2 4427/4885MMP3 3808/4885

“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.