SCHEMBL565562

SCHEMBL565562

COC(=O)c1cccc(N/N=C2\C(=O)Nc3ccc(S(=O)(=O)NCc4ccc(F)cc4)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 2/20 0.44
POLB P06746 2/20 0.44
CYP19A1 P11511 1/20 0.40
KCNA5 P22460 1/20 0.40
MGAT2 Q10469 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
SRC P12931 1/20 0.39
MAPT P10636 2/20 0.39
SYK P43405 1/20 0.38
TCF4 P15884 2/20 0.38
CTNNB1 P35222 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 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
SCHEMBL565563 1.00 MEN1 (0.44) MEN1KMT2ASMN1; SMN2NAMPTPOLB
SCHEMBL565841 0.91 PTPN1 (0.48) MEN1KMT2APOLBCYP19A1MGAT2
SCHEMBL565842 0.91 PTPN1 (0.48) MEN1KMT2APOLBCYP19A1MGAT2
SCHEMBL4904804 0.76 HTR2B (0.39) MEN1KMT2ASMN1; SMN2POLBPTPN1
SCHEMBL4904809 0.76 HTR2B (0.39) MEN1KMT2ASMN1; SMN2POLBPTPN1
SCHEMBL23686218 0.74 PTPN1 (0.46) MEN1KMT2APOLBCYP19A1PTPN1
SCHEMBL4904489 0.74 TP53 (0.45) MEN1KMT2APOLBPTPN11MAPT
SCHEMBL4904487 0.74 TP53 (0.45) MEN1KMT2APOLBPTPN11MAPT
SCHEMBL4897722 0.74 POLB (0.47) MEN1KMT2APOLBMGAT2PTPN1
SCHEMBL4897715 0.74 POLB (0.47) MEN1KMT2APOLBMGAT2PTPN1

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
US-20150352131-A1 Compositions and Methods for the Prevention and Treatment of Osteolysis and Osteoporosis RHODE ISLAND HOSPITAL (US) 2015-12-10 US disclosed
US-20150352131-A1 Compositions and Methods for the Prevention and Treatment of Osteolysis and Osteoporosis RHODE ISLAND HOSPITAL (US) 2015-12-10 US disclosed
US-8623906-B2 Carboxy isatin hydrazones and their esters as Shp2 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 US disclosed
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-09 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-20150352131-A1 Compositions and Methods for the Prevention and Treatment of Osteolysis and Osteoporosis SOST, PTPN6, PTPN3 MEN1 4285/4885KMT2A 3106/4885SMN1; SMN2 3715/4885
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER PTPN1, PTPN2, PTPN7 MEN1 4051/4885KMT2A 1600/4885SMN1; SMN2 4237/4885

“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.