SCHEMBL4071630

SCHEMBL4071630

COc1ccc(CCNC(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.51
REN P00797 7/20 0.51
ALDH1A1 P00352 2/20 0.48
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4059784 0.92 CCR1 (0.50) CTSDRENRAB9A
SCHEMBL4066448 0.89 REN (0.45) RENALDH1A1MAPTALOX12
SCHEMBL4058792 0.88 CTSD (0.44) CTSDRENMAPTSMN1; SMN2
SCHEMBL4071320 0.87 CCR1 (0.48) REN
SCHEMBL4060474 0.87 CCR1 (0.47) REN
SCHEMBL4066974 0.85 CCR1 (0.49) REN
SCHEMBL4071571 0.84 CCR1 (0.49) RENALDH1A1SMN1; SMN2RAB9A
SCHEMBL4063495 0.83 CA2 (0.52)
SCHEMBL4064286 0.83 CCR1 (0.49) ALDH1A1HPGDNPC1RAB9A
SCHEMBL4068098 0.82 CCR1 (0.49) RENSMN1; SMN2NPC1RAB9A

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 CTSD 3667/4885REN 1314/4885ALDH1A1 169/4885

“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.