SCHEMBL555991

SCHEMBL555991

O=C(OCI)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
CASP3 P42574 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
LMNA P02545 3/20 0.49
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
PTPN1 P18031 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
HTT P42858 3/20 0.44

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
SCHEMBL21815741 0.81 PTPN1 (0.57) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL62862 0.79 KMT2A (0.75) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL21953575 0.79 KMT2A (0.51) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL557321 0.79 MAPT (0.51) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL3022388 0.79 MAPT (0.51) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL4570567 0.79 KMT2A (0.75) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL6893747 0.79 TDP1 (0.57) KMT2AMAPTTRPV1LMNAADRB2
SCHEMBL18145 0.78 TDP1 (0.63) KMT2ALMNAALDH1A1KDM4ENPC1
SCHEMBL28451500 0.78 TDP1 (0.53) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL9127865 0.78 LMNA (0.55) KMT2AMAPTMEN1CASP3TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 US disclosed
WO-2010118309-A2 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-14 WO 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 KMT2A 2506/4885MAPT 4553/4885MEN1 3641/4885

“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.