SCHEMBL4064739

SCHEMBL4064739

CC(F)(CC[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)NCc1cccs1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 5/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CTSD P07339 1/20 0.37
PKM P14618 1/20 0.36
CCR1 P32246 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL4070821 0.91 ADAM17 (0.45) SMN1; SMN2
SCHEMBL6675011 0.89 CCR1 (0.43) LMNACCR1ALDH1A1
SCHEMBL4067999 0.86 ALDH1A1 (0.46) LMNAPOLBMAPTSMN1; SMN2GAA
SCHEMBL4062732 0.85 POLB (0.39) HPGDTSHRPOLBMAPTSMN1; SMN2
SCHEMBL4067750 0.84 TSHR (0.48) ALOX15LMNAHPGDTSHRPOLB
SCHEMBL4066473 0.83 CTSC (0.36) LMNAHPGDPOLBSMN1; SMN2CCR1
SCHEMBL4064274 0.83 CCR1 (0.41) TSHRCCR1
SCHEMBL6832277 0.83 CCR1 (0.41) TSHRCCR1
SCHEMBL6169667 0.83 CCR1 (0.43) MAPTCCR1
SCHEMBL4064042 0.83 CCR1 (0.43) MAPTCCR1

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 ALOX15 215/4885LMNA 4874/4885HPGD 2583/4885

“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.