SCHEMBL376086

SCHEMBL376086

CCc1cccc(-c2nc(C34CCC(C(=O)O)(CC3)CC4)[nH]c2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.58
ACVR1B P36896 2/20 0.39
ADORA1 P30542 4/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPK14 Q16539 2/20 0.38
RIPK2 O43353 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ADORA2A P29274 1/20 0.38
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL375120 0.92 TGFBR1 (0.69) TGFBR1ACVR1BADORA1MAPK14RIPK2
SCHEMBL375627 0.88 TGFBR1 (0.73) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4351457 0.85 TGFBR1 (0.56) TGFBR1ACVR1BADORA1MAPK14RIPK2
SCHEMBL15678349 0.81 TGFBR1 (0.73) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4337168 0.81 TGFBR1 (0.85) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL376161 0.80 TGFBR1 (0.86) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL30194941 0.80 TGFBR1 (0.86) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4347711 0.79 TGFBR1 (0.70) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4337372 0.77 TGFBR1 (0.69) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL18604427 0.74 TGFBR1 (0.62) TGFBR1ACVR1BMAPK14RIPK2TDP1

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-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US claimed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 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-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885ACVR1B 205/4885ADORA1 2216/4885

“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.