SCHEMBL3204480

SCHEMBL3204480

O=C1CN(c2ccc(CCCNC(=O)NC3CCCCC3)cc2O)S(=O)(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 3/20 0.43
ATM Q13315 1/20 0.42
EPHX2 P34913 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CCR3 P51677 1/20 0.40
PTPN2 P17706 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL3762437 0.94 EPHX1 (0.49) EPHX1MEN1KMT2APTPN1ATM
SCHEMBL2936239 0.87 EPHX1 (0.48) EPHX1MEN1KMT2APTPN1ATM
SCHEMBL2936042 0.86 PTPN1 (0.42) EPHX1MEN1KMT2APTPN1ATM
SCHEMBL3224621 0.83 PTPN1 (0.47) PTPN1HPGD
SCHEMBL3225753 0.81 EPHX1 (0.49) EPHX1MEN1KMT2APTPN1SMN1; SMN2
SCHEMBL3262018 0.80 EPHX2 (0.52) EPHX1MEN1KMT2APTPN1EPHX2
SCHEMBL2933875 0.80 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3226568 0.80 PTPN1 (0.47) KMT2APTPN1PTPN2
SCHEMBL3213337 0.79 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL3209517 0.79 EPHX1 (0.41) EPHX1MEN1KMT2APTPN1EPHX2

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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US claimed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US claimed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP claimed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO claimed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20100305036-A1 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (SZ) 2010-12-02 US disclosed
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY JEYASEELAN JEY RAJU 2010-02-11 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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 (3 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC EPHX1 1977/4885MEN1 4439/4885KMT2A 1666/4885
US-20100305036-A1 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS MUSK, PPP5C, PPP3CA EPHX1 4440/4885MEN1 1479/4885KMT2A 1965/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA EPHX1 2858/4885MEN1 4707/4885KMT2A 1975/4885

“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.