SCHEMBL4064238

SCHEMBL4064238

NC(=O)C1CCC(O)(C(CC(O)[CH]Cc2ccc(F)cc2)C(=O)NO)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
VCP P55072 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL2675965 0.91 TSHR (0.36) ANPEPKMT2ASMN1; SMN2
SCHEMBL7590168 0.91 TSHR (0.36) ANPEPKMT2ASMN1; SMN2
SCHEMBL4063896 0.90 KMT2A (0.36) KMT2AL3MBTL1VCPNPC1RAB9A
SCHEMBL4063102 0.89 ANPEP (0.38) ANPEPVCPHDAC4HDAC7HDAC5
SCHEMBL4063933 0.87 EPHX1 (0.36)
SCHEMBL4073406 0.85 VCP (0.35) KMT2AVCPPTGER4PTGER3PTGER2
SCHEMBL4069604 0.84 SLC1A3 (0.33) VCP
SCHEMBL4072970 0.82 SMYD3 (0.39) VCPTBXA2RPTGER4PTGER3PTGER2
SCHEMBL4069582 0.80 ALDH1A1 (0.35) KMT2AL3MBTL1POLBSMN1; SMN2
SCHEMBL4063927 0.80 SLC6A2 (0.36) HDAC3HDAC1HDAC2HDAC11HDAC6

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 ANPEP 4623/4885KMT2A 2539/4885L3MBTL1 846/4885

“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.