SCHEMBL2060095

SCHEMBL2060095

NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
EPHX2 P34913 1/20 0.53
POLB P06746 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL14095893 0.84 MEN1 (0.61) PKMKDM4EKMT2AMEN1MAPT
SCHEMBL1711115 0.83 PKM (0.85) PKML3MBTL1KDM4EKMT2AMEN1
SCHEMBL14086756 0.83 ALDH1A1 (0.64) PKMKDM4EGAAKMT2AMEN1
SCHEMBL266490 0.83 MEN1 (0.75) PKML3MBTL1KDM4EKMT2AMEN1
SCHEMBL18017623 0.83 MAPT (0.58) PKML3MBTL1KDM4EGAAKMT2A
SCHEMBL2060101 0.82 PKM (0.56) PKML3MBTL1KDM4EKMT2AMEN1
SCHEMBL4704361 0.82 GAA (0.61) PKML3MBTL1KDM4EGAAKMT2A
SCHEMBL28656967 0.81 SMN1; SMN2 (0.60) PKMKMT2AMEN1HTR2AHTR2C
SCHEMBL22868370 0.81 MAPT (0.64) PKML3MBTL1KDM4EGAAKMT2A
Hydrochloric Acid SCHEMBL1391938 0.81 GAA (0.59) PKML3MBTL1KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081928-B1 Pyrrolo-pyridine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-8148361-B2 Kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100041636-A1 NOVEL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
EP-2081928-A2 PYRROLO-PYRIDINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP disclosed
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 US disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2008060907-A2 PYRROLO-PYRIDINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP 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-20100041636-A1 NOVEL KINASE INHIBITORS IGF1R, FGFR1, FLT1 PKM 1721/4885L3MBTL1 4382/4885KDM4E 2582/4885
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 PKM 227/4885L3MBTL1 2917/4885KDM4E 397/4885

“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.