SCHEMBL7426302

SCHEMBL7426302

CCOC(=O)c1ccc2c(cnn2CC(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
SYK P43405 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
BRD4 O60885 1/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7428104 0.89 PLA2G4A (0.46) EGFRERBB2POLBTSHRHSD17B10
SCHEMBL7653557 0.88 MAOA (0.47) EGFRERBB2MAOAMAOBNPC1
SCHEMBL7427872 0.88 KMO (0.48) EGFRERBB2POLBTSHRHSD17B10
SCHEMBL904672 0.86 MAPT (0.48) EGFRERBB2NPC1MAPTRAB9A
SCHEMBL7425711 0.85 POLB (0.42) EGFRERBB2POLBTSHRHSD17B10
SCHEMBL14564354 0.82 SYK (0.48) SYKPOLBHSD17B10NPC1MAPT
SCHEMBL4957912 0.81 HTR2A (0.46) EGFRERBB2TSHRMAOAMAOB
SCHEMBL7653649 0.81 KMO (0.44) EGFRERBB2TSHRMAOAMAOB
SCHEMBL7425784 0.81 KMO (0.60) EGFRERBB2MAOAMAOBNPC1
SCHEMBL4959328 0.81 MAOA (0.43) EGFRERBB2TSHRMAOAMAOB

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-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 US disclosed
US-20010044535-A1 Integrin antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-11-22 US disclosed
EP-1054871-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP disclosed
WO-1999050249-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-07 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-20010044535-A1 Integrin antagonists ITGB3, VCAM1, ITGB2 EGFR 449/4885ERBB2 161/4885SYK 1067/4885

“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.