SCHEMBL4068650

SCHEMBL4068650

CC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ANPEP P15144 1/20 0.56
ERAP2 Q6P179 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
CTSC P53634 1/20 0.50
USP2 O75604 1/20 0.47
NMBR P28336 1/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL4073014 0.90 MAPK1 (0.51) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL4071320 0.82 CCR1 (0.48) ANPEP
SCHEMBL7591156 0.82 CCR1 (0.61) ALDH1A1CYP3A4ANPEP
SCHEMBL6675017 0.82 CCR1 (0.61) ALDH1A1CYP3A4ANPEP
SCHEMBL4060474 0.82 CCR1 (0.47) ANPEPERAP2ERAP1
SCHEMBL4071571 0.81 CCR1 (0.49) ALDH1A1CYP3A4ANPEPERAP2ERAP1
SCHEMBL4063495 0.80 CA2 (0.52)
SCHEMBL4066974 0.80 CCR1 (0.49) ANPEP
SCHEMBL4071798 0.79 KMT2A (0.50) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL4068098 0.79 CCR1 (0.49) KMT2AMEN1CYP3A4ANPEPERAP2

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 KMT2A 2539/4885MEN1 4545/4885ALDH1A1 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.