SCHEMBL375627

SCHEMBL375627

Cc1cccc(-c2nc(C34CCC(C(=O)O)(CC3)CC4)[nH]c2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.73
MAPK14 Q16539 2/20 0.50
ACVR1B P36896 2/20 0.50
RIPK2 O43353 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 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
SCHEMBL15678349 0.93 TGFBR1 (0.73) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4337168 0.93 TGFBR1 (0.85) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL30194941 0.92 TGFBR1 (0.86) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL376161 0.92 TGFBR1 (0.86) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4347711 0.90 TGFBR1 (0.70) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL376086 0.88 TGFBR1 (0.58) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4337372 0.88 TGFBR1 (0.69) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4351457 0.87 TGFBR1 (0.56) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL18604427 0.85 TGFBR1 (0.62) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4339710 0.84 TGFBR1 (1.00) TGFBR1MAPK14ACVR1BRIPK2TDP1

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 1324/4885MAPK14 2025/4885ACVR1B 205/4885

“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.