SCHEMBL29447640

SCHEMBL29447640

O=C(Nc1cc2c(cnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
NR3C1 P04150 4/20 0.38
TP53 P04637 2/20 0.38
PGR P06401 2/20 0.38
NPY5R Q15761 4/20 0.36
DPP4 P27487 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL29447562 0.78 DPP4 (0.38) NR3C1TP53PGRDPP4KMT2A
SCHEMBL28429711 0.78 DPP4 (0.38) NR3C1TP53PGRDPP4KMT2A
SCHEMBL29447600 0.74 STAT3 (0.40) LMNA
SCHEMBL29447706 0.74 CYP11B1 (0.35) NR3C1PGRNPC1RAB9A
SCHEMBL29447613 0.74 CYP11B1 (0.35) NR3C1PGR
SCHEMBL20401501 0.70 CYP11B1 (0.30)
SCHEMBL27604788 0.69 HSD17B10 (0.41) KDM4ENPC1RAB9AHSD17B10
SCHEMBL29447622 0.68 DGAT1 (0.38) NR3C1KMT2AMEN1
SCHEMBL9959744 0.67 ACSS2 (0.43) KMT2AKDM4EMAPK1HSD17B10
SCHEMBL2732512 0.67 HDAC3 (0.40)

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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors STAT3, JAK2, STAT5A ABCC9 1909/4885ABCC8 1056/4885KCNJ11 4801/4885

“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.