SCHEMBL3762437

SCHEMBL3762437

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
PTPN1 P18031 4/20 0.44
PTPN2 P17706 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL3204480 0.94 EPHX1 (0.50) EPHX1MEN1KMT2AATMRAB9A
SCHEMBL2936239 0.93 EPHX1 (0.48) EPHX1MEN1KMT2AATMRAB9A
SCHEMBL2936042 0.92 PTPN1 (0.42) EPHX1MEN1KMT2AATMRAB9A
SCHEMBL3226383 0.84 PTPN1 (0.47) PTPN1PTPN2LMNAHPGD
SCHEMBL3209517 0.84 EPHX1 (0.41) EPHX1MEN1KMT2ATP53EPHX2
SCHEMBL2933013 0.83 PTPN1 (0.47) MEN1KMT2APTPN1PTPN2LMNA
SCHEMBL3218066 0.82 KDM4E (0.52) SMN1; SMN2PTPN1PTPN2LMNAHPGD
SCHEMBL2933763 0.82 CA12 (0.40) EPHX1MEN1KMT2ATP53EPHX2
SCHEMBL3759377 0.81 PTPN1 (0.46) EPHX1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3216100 0.80 PTPN1 (0.47) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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-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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
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-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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 (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-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

“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.