SCHEMBL2449519

SCHEMBL2449519

CCCCCOc1ccc(F)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.63
S1PR3 Q99500 1/20 0.63
PTPN1 P18031 2/20 0.59
PTPN6 P29350 1/20 0.59
MEN1 O00255 1/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
MAPT P10636 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
PLA2G2D Q9UNK4 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL7959141 0.91 PTPN11 (0.51) PTPN11S1PR3PTPN1PTPN6MEN1
SCHEMBL20471860 0.88 PTPN11 (0.52) PTPN11S1PR3PTPN1PTPN6MEN1
SCHEMBL20472214 0.87 MEN1 (0.51) PTPN11S1PR3PTPN1PTPN6MEN1
SCHEMBL25788102 0.85 PTPN11 (0.67) PTPN11S1PR3PTPN1PTPN6MEN1
SCHEMBL1188345 0.84 TSHR (0.56) S1PR3MEN1LMNAKMT2A
SCHEMBL31078354 0.84 TSHR (0.56) S1PR3MEN1LMNAKMT2A
SCHEMBL11775746 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6MEN1
SCHEMBL35211213 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6
SCHEMBL4517493 0.83 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6MEN1
SCHEMBL1505106 0.83 ALDH1A1 (0.49) PTPN11S1PR3PTPN1PTPN6LMNA

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
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 WO disclosed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 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 (1 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 PTPN11 3041/4885S1PR3 871/4885PTPN1 3586/4885

“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.