SCHEMBL4066473

SCHEMBL4066473

CC(F)(CCC(CC(O)[CH]Cc1cccs1)C(=O)NO)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.36
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
BMP1 P13497 2/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ADAM17 P78536 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
SCHEMBL4069071 0.90 CTSC (0.34) CTSCPOLBCCR1RAB9AALDH1A1
SCHEMBL6832277 0.84 CCR1 (0.41) CCR1
SCHEMBL4064274 0.84 CCR1 (0.41) CCR1
SCHEMBL4064739 0.83 ALOX15 (0.41) POLBCCR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4070821 0.82 ADAM17 (0.45) RAB9ASMN1; SMN2ADAM17
SCHEMBL4068181 0.81 CCR1 (0.36) CCR1ALDH1A1
SCHEMBL4061961 0.81 CYP2D6 (0.40)
SCHEMBL4066963 0.81 CTSC (0.35) CTSCPOLBCCR1RAB9AALDH1A1
SCHEMBL4070040 0.80 ANPEP (0.39) CCR1
SCHEMBL4060776 0.80 CCR1 (0.37) CCR1SMN1; SMN2

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 CTSC 2419/4885POLB 4610/4885CCR1 21/4885

“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.