SCHEMBL2632342

SCHEMBL2632342

CC(CO)NC(=O)c1cccc(CCCC(=O)N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP4K4 O95819 1/20 0.40
PTAFR P25105 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL13323527 0.96 CYP4F2 (0.44) HPGDCYP4F2CYP4A11ATMSMN1; SMN2
SCHEMBL2763050 0.95 CYP4F2 (0.43) HPGDCYP4F2CYP4A11ATMSMN1; SMN2
SCHEMBL17049467 0.95 CYP4F2 (0.43) HPGDCYP4F2CYP4A11ATMSMN1; SMN2
SCHEMBL17049469 0.95 CYP4F2 (0.43) HPGDCYP4F2CYP4A11ATMSMN1; SMN2
SCHEMBL13324058 0.93 HPGD (0.46) HPGDCYP4F2CYP4A11ATMSMN1; SMN2
SCHEMBL13376361 0.88 CYP4F2 (0.41) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL2632341 0.86 HPGD (0.50) HPGDCYP4F2CYP4A11ATMSMN1; SMN2
SCHEMBL13324059 0.85 CYP4F2 (0.55) HPGDCYP4F2CYP4A11ATMSMN1; SMN2
SCHEMBL13323521 0.84 SMN1; SMN2 (0.46) HPGDCYP4F2CYP4A11ATMSMN1; SMN2
SCHEMBL13324060 0.84 CYP4F2 (0.49) HPGDCYP4F2CYP4A11ATMSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682924-B2 Crystalline form of VSN16 CANBEX THERAPEUTICS LIMITED (GB) 2017-06-20 US disclosed
US-20150353476-A1 CRYSTALLINE FORM OF VSN16 ULC BUSINESS PLC (GB) 2015-12-10 US disclosed
US-8293796-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2012-10-23 US disclosed
US-20120101301-A1 PROCESS FOR PREPARING CARBOXYLIC ACID AMIDES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS UCL BUSINESS PLC (GB) 2012-04-26 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 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 (4 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-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 HPGD 2698/4885CYP4F2 380/4885CYP4A11 279/4885
US-20150353476-A1 CRYSTALLINE FORM OF VSN16 VAC14, SFXN1, VIL1 HPGD 3150/4885CYP4F2 913/4885CYP4A11 1012/4885
US-20120101301-A1 PROCESS FOR PREPARING CARBOXYLIC ACID AMIDES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS CPT1B, MUSK, C1R HPGD 2246/4885CYP4F2 523/4885CYP4A11 566/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 HPGD 2698/4885CYP4F2 380/4885CYP4A11 279/4885

“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.