SCHEMBL561604

SCHEMBL561604

CC(=C(C(=O)O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
FFAR1 O14842 2/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL561603 0.81 SMN1; SMN2 (0.40) CES2CES1FFAR1RAB9ANPC1
SCHEMBL561601 0.81 SMN1; SMN2 (0.40) CES2CES1FFAR1RAB9ANPC1
SCHEMBL16070866 0.71 NR4A1 (0.58) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL16070867 0.71 NR4A1 (0.58) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL16070868 0.71 NR4A1 (0.58) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL10412461 0.67 NPC1 (0.56) CES2CES1FFAR1RAB9ANPC1
SCHEMBL4949082 0.67 TDP1 (0.69) CES2CES1MEN1KMT2ACA1
SCHEMBL4944977 0.67 TDP1 (0.69) CES2CES1MEN1KMT2ACA1
SCHEMBL642520 0.66 CA1 (0.54) CES2CES1RAB9ACA1CA2
SCHEMBL11099376 0.66 MAPK1 (0.66) CES2CES1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (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 (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 CES2 4269/4885CES1 3922/4885FFAR1 2677/4885

“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.