SCHEMBL718977

SCHEMBL718977

CCC(CC)C(Nc1ccc(C(=O)OC)cc1)c1sc2ccccc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
CMA1 P23946 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.39
NOD2 Q9HC29 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL718282 0.89 GCGR (0.40) MAPTTP53RXFP1KMT2AMEN1
SCHEMBL718054 0.82 GCGR (0.58) LMNAGCGR
SCHEMBL717968 0.81 GCGR (0.47) MAPTTP53RXFP1KMT2AMEN1
SCHEMBL722249 0.80 MAPT (0.43) MAPTTP53RXFP1KMT2AMEN1
SCHEMBL719433 0.80 MAPT (0.36) MAPTTP53RXFP1KMT2ASMN1; SMN2
SCHEMBL720271 0.77 ALDH1A1 (0.41) MAPTTP53RXFP1KMT2AMEN1
SCHEMBL3399857 0.69 GCGR (0.49) MAPTTP53RXFP1KMT2AMEN1
SCHEMBL719032 0.69 GCGR (0.38) MAPTTP53RXFP1KMT2AMEN1
SCHEMBL3396950 0.69 CNR2 (0.38) MAPTTP53RXFP1KMT2AMEN1
SCHEMBL718064 0.68 GABRA5 (0.40) KMT2ACMA1SMN1; SMN2LMNAMAPK1

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 MAPT 4533/4885TP53 293/4885RXFP1 3336/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885TP53 293/4885RXFP1 3336/4885

“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.