Sugi Predict

Sugi Predict / Compounds / SCHEMBL4061850

SCHEMBL4061850

SCHEMBL4061850

N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](C(=O)NO)C1(O)C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.38
▸ LAP3 P28838 2/20 0.37
▸ ANPEP P15144 2/20 0.37
▸ RNPEP Q9H4A4 1/20 0.37
▸ DNPEP Q9ULA0 1/20 0.37
▸ REN P00797 2/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SLC15A1 P46059 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MME P08473 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35

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
SCHEMBL4067957 0.88 MMP1 (0.39) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL4062965 0.88 HSD11B1 (0.40) HSD11B1LAP3ANPEPRNPEPDNPEP
SCHEMBL4068030 0.81 MMP2 (0.46) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL4072357 0.80 CCR1 (0.46) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL4065351 0.80 LAP3 (0.38) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL4061845 0.79 HSD11B1 (0.38) HSD11B1ANPEPMMP8MME
SCHEMBL7590174 0.78 MMP1 (0.40) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL2675968 0.78 MMP1 (0.40) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL2675868 0.78 CCR1 (0.48) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL2675827 0.78 CCR1 (0.48) LAP3ANPEPRNPEPDNPEPREN

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 HSD11B1 747/4885LAP3 3585/4885ANPEP 4623/4885

“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.