SCHEMBL12501700

SCHEMBL12501700

C=CC(=O)NC(CSSC[C@H](NC(=O)C=C)C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ITGB1 P05556 3/20 0.45
ITGA4 P13612 3/20 0.45
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FOLH1 Q04609 1/20 0.36
RIMKLA Q8IXN7 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
CYP2C19 P33261 1/20 0.34
TGM2 P21980 2/20 0.34
TGFBR1 P36897 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL15451459 1.00 TSHR (0.45) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL12501698 1.00 TSHR (0.45) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL30738812 0.98 ITGB1 (0.44) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL12694405 0.93 ITGB1 (0.41) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL15440085 0.89 ITGB1 (0.39) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL28177284 0.89 ITGB1 (0.39) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL17622156 0.88 ITGB1 (0.38) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL19457185 0.86 TSHR (0.41) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL10660647 0.85 TSHR (0.39) TSHRITGB1ITGA4ALDH1A1MAPK1
SCHEMBL10660652 0.85 TSHR (0.39) TSHRITGB1ITGA4ALDH1A1MAPK1

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
EP-2667855-B1 DRUG DELIVERY SYSTEMS BIOCOMPATIBLES UK LTD (GB) 2017-08-09 EP disclosed
US-20140030350-A1 Drug Delivery Systems BIOCOMPATIBLES UK LIMITED (GB) 2014-01-30 US disclosed
EP-2667855-A1 DRUG DELIVERY SYSTEMS Biocompatibles Uk Ltd. (GB) 2013-12-04 EP disclosed
WO-2012101455-A1 DRUG DELIVERY SYSTEMS BIOCOMPATIBLES UK LIMITED (GB) 2012-08-02 WO 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-20140030350-A1 Drug Delivery Systems FKBP2, FKBP4, HSPA9 TSHR 1316/4885ITGB1 1148/4885ITGA4 600/4885

“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.