SCHEMBL556710

SCHEMBL556710

O=C(O)C(=C(c1ccc(C(F)(F)P(=O)(OCOCc2ccc3c(c2)OCO3)OCOCc2ccc3c(c2)OCO3)cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP2 Q8WXD0 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH2 P05091 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
GHSR Q92847 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
UGCG Q16739 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34

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
SCHEMBL557122 0.79 SMN1; SMN2 (0.36) RAB9AMAPT
SCHEMBL16069988 0.75 CYP3A4 (0.43) KDM4ENPC1RAB9APOLBCTDSP1
SCHEMBL16069991 0.75 CYP3A4 (0.43) KDM4ENPC1RAB9APOLBCTDSP1
SCHEMBL556708 0.73 KMT2A (0.39) KDM4ENPC1RAB9APOLBCTDSP1
SCHEMBL10107742 0.64 ALDH2 (0.77) ALDH2KDM4EPOLBTDP1MAPT
SCHEMBL557011 0.63 TSHR (0.41) NPC1RAB9APOLBTDP1MAPT
SCHEMBL16069990 0.61 KDM4E (0.42) RXFP1KDM4ENPC1RAB9APOLB
SCHEMBL29216848 0.59 CYP3A4 (0.60) NPC1RAB9ATDP1CYP3A4
SCHEMBL28259740 0.59 ALDH2 (0.82) ALDH2KDM4ERECQLGHSRPOLB
SCHEMBL2346138 0.58 CYP3A4 (0.63) NPC1RAB9ATDP1CYP3A4

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 RXFP2 2151/4885RXFP1 1909/4885ALDH2 3041/4885

“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.