Sugi Predict

Sugi Predict / Compounds / SCHEMBL4064377

SCHEMBL4064377

SCHEMBL4064377

NC(=O)c1cccc(C[C@H](C[C@@H](O)[CH]Cc2ccccc2)C(N)=O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 3/20 0.35
▸ PARP1 P09874 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PLA2G10 O15496 4/20 0.32
▸ PLA2G2A P14555 4/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ PLA2G1B P04054 1/20 0.31
▸ PLA2G5 P39877 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
SCHEMBL4062969 0.90 ADRA1D (0.36) ADRA1DKMT2APLA2G10PLA2G2AEPHX1
SCHEMBL4061937 0.88 HMGB1 (0.34) ADRA1DKMT2APLA2G10PLA2G2AEPHX1
SCHEMBL4070172 0.87 KMT2A (0.33) ADRA1DKMT2APLA2G10PLA2G2AEPHX1
SCHEMBL4067772 0.81 EPHX1 (0.32) KMT2APLA2G10PLA2G2AEPHX1CTSG
SCHEMBL7681396 0.81 AKR1B1 (0.37) EPHX1L3MBTL1ALDH1A1POLB
SCHEMBL4063724 0.81 BID (0.36) PLA2G10PLA2G2AEPHX1L3MBTL1ALDH1A1
SCHEMBL4063820 0.80 KDM4E (0.37) ADRA1DKMT2APLA2G10PLA2G2APLA2G1B
SCHEMBL4064865 0.80 TDP1 (0.38) EPHX1L3MBTL1ALDH1A1POLB
SCHEMBL4066977 0.80 CYP3A4 (0.36) PLA2G10PLA2G2AEPHX1PLA2G1BPLA2G5
SCHEMBL4061971 0.77 FOLH1 (0.50) PLA2G10PLA2G2A

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 ADRA1D 705/4885PARP1 4529/4885CA12 4038/4885

“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.