SCHEMBL1703386

SCHEMBL1703386

NS(=O)(=O)c1ccccc1OCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.48
MCHR1 Q99705 3/20 0.47
HTR2C P28335 3/20 0.47
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CDK2 P24941 3/20 0.43
CCNA2 P20248 2/20 0.43
FAAH O00519 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
RIPK1 Q13546 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
CCNB2 O95067 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL20303710 0.98 P2RX4 (0.49) P2RX4MCHR1HTR2CCDK1CCNB1
SCHEMBL11160163 0.92 RIPK1 (0.50) P2RX4HTR2CRIPK1
Trifluoroacetic Acid SCHEMBL20303811 0.89 P2RX4 (0.46) P2RX4MCHR1HTR2CFAAHCNR1
SCHEMBL28904257 0.85 P2RX4 (0.54) P2RX4MCHR1HTR2CRIPK1
SCHEMBL4873733 0.78 PARP10 (0.53) P2RX4CDK1CCNB1CDK2CCNA2
SCHEMBL10561536 0.77 ALDH1A1 (0.57) P2RX4
SCHEMBL3990024 0.76 RIPK1 (0.54) HTR2CCNR2RIPK1
SCHEMBL79139 0.76 GAA (0.50) MCHR1HTR2CFAAHCNR1CNR2
SCHEMBL9370895 0.76 MCHR1 (0.56) MCHR1HTR2CCDK2FAAHCNR1
SCHEMBL5777914 0.76 LMNA (0.50) MCHR1HTR2CFAAHCNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP claimed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 WO claimed
US-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 US disclosed
WO-2018118838-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2018-06-28 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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 P2RX4 4855/4885MCHR1 2717/4885HTR2C 4750/4885

“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.