Sugi Predict

Sugi Predict / Compounds / SCHEMBL4062969

SCHEMBL4062969

SCHEMBL4062969

NC(=O)c1ccccc1C[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ FOLH1 Q04609 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PLA2G10 O15496 2/20 0.34
▸ PLA2G2A P14555 2/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ IL1RN P18510 2/20 0.33
▸ ERAP2 Q6P179 2/20 0.33
▸ ERAP1 Q9NZ08 2/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL4061937 0.91 HMGB1 (0.34) ADRA1DKMT2AEPHX1L3MBTL1PLA2G10
SCHEMBL4070172 0.90 KMT2A (0.33) ADRA1DKMT2AEPHX1L3MBTL1PLA2G10
SCHEMBL4064377 0.90 ADRA1D (0.35) ADRA1DKMT2AEPHX1L3MBTL1PLA2G10
SCHEMBL4066977 0.87 CYP3A4 (0.36) EPHX1PLA2G10PLA2G2ASLC1A1
SCHEMBL4063820 0.87 KDM4E (0.37) ADRA1DKMT2APLA2G10PLA2G2AALDH1A1
SCHEMBL7681396 0.86 AKR1B1 (0.37) EPHX1L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL4063724 0.83 BID (0.36) EPHX1FOLH1L3MBTL1PLA2G10PLA2G2A
SCHEMBL4064865 0.82 TDP1 (0.38) EPHX1L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL4060239 0.81 EPHX1 (0.40) EPHX1PLA2G10PLA2G2A
SCHEMBL4070562 0.80 PLA2G10 (0.39) FOLH1PLA2G10PLA2G2A

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 705/4885KMT2A 2539/4885EPHX1 805/4885

“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.