SCHEMBL3498296

SCHEMBL3498296

CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 9/20 0.77
ABCG2 Q9UNQ0 1/20 0.77
ACLY P53396 1/20 0.48
CD274 Q9NZQ7 1/20 0.46
ACACB O00763 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 1/20 0.44
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3498457 0.85 ABCC1 (0.57) ABCC1ABCG2LMNAALDH1A1MAPT
SCHEMBL8329259 0.80 ABCC1 (0.63) ABCC1ABCG2ACLYLMNAALDH1A1
SCHEMBL2210016 0.80 ABCC1 (0.63) ABCC1ABCG2ACLYACACBNPC1
SCHEMBL21250173 0.73 MEN1 (0.60) ABCC1ABCG2ACLYALDH1A1MAPT
SCHEMBL3497629 0.73 ABCC1 (0.55) ABCC1ABCG2ACLYACACBLMNA
SCHEMBL5741331 0.72 ABCC1 (0.57) ABCC1ABCG2ACLYACACBLMNA
SCHEMBL7095263 0.69 MEN1 (0.66) ABCC1LMNAALDH1A1NPC1TSHR
SCHEMBL4059329 0.69 ABCC1 (0.50) ABCC1ABCG2ACLYLMNAALDH1A1
SCHEMBL1398747 0.68 PRNP (0.53) ABCC1ABCG2ACLYLMNAALDH1A1
SCHEMBL29448323 0.68 PRNP (0.53) ABCC1ABCG2ACLYLMNAALDH1A1

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-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 (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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC ABCC1 822/4885ABCG2 1101/4885ACLY 56/4885

“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.