SCHEMBL7147943

SCHEMBL7147943

C=CCOC(=O)NC(CC)(CC(=O)O)c1cccc(NS(=O)(=O)c2cccc(NC(=O)NCCC)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GHSR Q92847 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
ADRB3 P13945 1/20 0.38
LMNA P02545 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
IDH2 P48735 2/20 0.36
XBP1 P17861 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7148734 0.86 POLB (0.43) MAPTCA1CA2LMNAMEN1
SCHEMBL7150464 0.83 KMT2A (0.45) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL7147947 0.76 MAPT (0.42) MAPTSMN1; SMN2GHSRKDM4EADRB3
SCHEMBL4954940 0.74 MAPT (0.42) MAPTSMN1; SMN2GHSRKDM4ECA12
SCHEMBL14186066 0.71 KDM4E (0.44) MAPTSMN1; SMN2KDM4ECA12CA1
SCHEMBL14532384 0.70 GHSR (0.57) MAPTSMN1; SMN2GHSRKDM4ECA12
SCHEMBL30315220 0.70 GHSR (0.57) MAPTSMN1; SMN2GHSRKDM4ECA12
SCHEMBL23795533 0.69 MAPT (0.50) MAPTSMN1; SMN2GHSRKDM4ECA12
SCHEMBL14186058 0.69 MAPT (0.50) MAPTSMN1; SMN2GHSRKDM4ECA12
SCHEMBL24106585 0.69 ITGB3 (0.50) MAPTSMN1; SMN2GHSRKDM4EADRB3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347783-A1 CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units BAYER AKTIENGESELLSCHAFT (DE) 2002-12-05 US disclosed
EP-1238678-A1 Enzyme-activated cytostatic conjugates with integrin ligands Bayer Aktiengesellschaft (DE) 2002-09-11 EP disclosed
WO-2002051444-A1 CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed
EP-1219305-A1 Conjugates of integrin receptor antagonists and a cytostatic agent having specifically cleavable linking units Bayer Aktiengesellschaft (DE) 2002-07-03 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-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units ITGAV, ITGB3, ITGAL MAPT 3777/4885SMN1; SMN2 2343/4885GHSR 3434/4885

“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.