SCHEMBL1705415

SCHEMBL1705415

O=S(=O)(NCCF)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
TBXAS1 P24557 1/20 0.34
TBXA2R P21731 1/20 0.33
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTR1A P08908 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.31
LOX P28300 1/20 0.31
BRPF1 P55201 1/20 0.31
PGAM1 P18669 1/20 0.31
MMP1 P03956 1/20 0.30
MMP7 P09237 1/20 0.30
MMP12 P39900 1/20 0.30
ECE1 P42892 1/20 0.30
MMP13 P45452 1/20 0.30
CA2 P00918 1/20 0.30
BRD4 O60885 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
SCHEMBL10064188 0.83 NPY5R (0.34) NPY5RTBXAS1TBXA2RCA1CA12
Hydrochloric Acid SCHEMBL27202561 0.82 LOXL2 (0.35) NPY5RTBXAS1TBXA2RCA1CA12
SCHEMBL1703764 0.79 CA1 (0.44) NPY5RTBXAS1TBXA2RCA1HTR1A
SCHEMBL15945378 0.78 CA1 (0.37) NPY5RTBXAS1TBXA2RCA1CA12
SCHEMBL4443757 0.77 NPY5R (0.33) NPY5RTBXAS1TBXA2RHTR1A
SCHEMBL1704325 0.77 CA1 (0.46) NPY5RTBXAS1CA1CA12CA7
SCHEMBL23181217 0.76 CA1 (0.48) NPY5RCA1CA12CA7CA14
SCHEMBL13301181 0.74 MMP1 (0.38) NPY5RTBXA2RCA1CA12CA7
SCHEMBL67104 0.71 CYP3A4 (0.35) NPY5R
SCHEMBL8934429 0.71 MMP1 (0.36) TBXA2RCA1CA12CA7CA14

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
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT NPY5R 964/4885TBXAS1 1282/4885TBXA2R 2563/4885

“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.