SCHEMBL719930

SCHEMBL719930

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(NS(=O)(=O)c4ccccc4)cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
HIF1A Q16665 13/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL721591 0.99 TP53 (0.42) TP53MAPTHIF1APOLBTHRB
SCHEMBL717530 0.93 ALDH1A1 (0.42) TP53MAPTHIF1APOLBALDH1A1
SCHEMBL721953 0.88 DGAT1 (0.36)
SCHEMBL719304 0.88 ALOX15 (0.38) TP53MAPTALDH1A1
SCHEMBL718427 0.87 KMT2A (0.35) TP53SMN1; SMN2ALDH1A1
SCHEMBL718770 0.87 KMT2A (0.35) TP53HIF1AALDH1A1PKM
SCHEMBL719968 0.87 NPC1 (0.38) TP53MAPTALDH1A1PKM
SCHEMBL720867 0.87 KMT2A (0.34) TP53ALDH1A1PKM
SCHEMBL719556 0.87 MAPT (0.35) TP53MAPT
SCHEMBL716375 0.86 ALOX15 (0.38) TP53ALDH1A1

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TP53 293/4885MAPT 4533/4885HIF1A 1023/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TP53 293/4885MAPT 4533/4885HIF1A 1023/4885

“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.