SCHEMBL10114938

SCHEMBL10114938

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(NC(=O)C3CCCCC3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
ENPP3 O14638 5/20 0.55
ENPP1 P22413 5/20 0.55
ENPP2 Q13822 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.52
STS P08842 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NAMPT P43490 1/20 0.50
PTPN2 P17706 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL13204426 1.00 PTPN1 (0.56) PTPN1ENPP3ENPP1ENPP2LMNA
SCHEMBL13204438 0.92 SMN1; SMN2 (0.49) PTPN1ENPP3ENPP1ENPP2LMNA
SCHEMBL10114959 0.92 SMN1; SMN2 (0.49) PTPN1ENPP3ENPP1ENPP2LMNA
SCHEMBL10114911 0.91 KMT2A (0.58) LMNAHPGDHTTSMN1; SMN2MEN1
SCHEMBL14424378 0.91 KMT2A (0.58) LMNAHPGDHTTSMN1; SMN2MEN1
SCHEMBL10114988 0.90 LMNA (0.59) LMNAHPGDNPSR1HTTSMN1; SMN2
SCHEMBL13204425 0.90 LMNA (0.59) LMNAHPGDNPSR1HTTSMN1; SMN2
SCHEMBL13204270 0.90 ALDH1A1 (0.55) ENPP3ENPP1ENPP2LMNANPSR1
SCHEMBL10114691 0.90 ALDH1A1 (0.55) ENPP3ENPP1ENPP2LMNANPSR1
SCHEMBL10113958 0.90 NAMPT (0.66) LMNANPSR1HTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PTPN1 353/4885ENPP3 3225/4885ENPP1 3059/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PTPN1 325/4885ENPP3 3416/4885ENPP1 3327/4885

“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.