SCHEMBL4002154

SCHEMBL4002154

CC(=O)NC(Cc1c[nH]c2c(Br)cccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.61
ITGB2 P05107 7/20 0.53
ICAM1 P05362 7/20 0.53
ITGAL P20701 7/20 0.53
ALOX15 P16050 1/20 0.53
ACE P12821 3/20 0.49
ECE1 P42892 3/20 0.48
FPR2 P25090 1/20 0.48
TACR1 P25103 1/20 0.47

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
SCHEMBL28516957 0.86 ITGB2 (0.63) TNFITGB2ICAM1ITGALALOX15
SCHEMBL28516953 0.86 ITGB2 (0.63) TNFITGB2ICAM1ITGALALOX15
SCHEMBL837864 0.85 TNF (0.68) TNFITGB2ICAM1ITGALALOX15
SCHEMBL29530632 0.85 TNF (0.71) TNFITGB2ICAM1ITGALALOX15
SCHEMBL836657 0.85 TNF (0.68) TNFITGB2ICAM1ITGALALOX15
SCHEMBL28880060 0.84 ACE (0.56) ITGB2ICAM1ITGALACETACR1
SCHEMBL28880058 0.84 ACE (0.56) ITGB2ICAM1ITGALACETACR1
SCHEMBL8251031 0.81 NMBR (0.56) ITGB2ICAM1ITGALACEECE1
Acetyltryptophan SCHEMBL702442 0.80 ALOX15 (0.79) ITGB2ICAM1ITGALALOX15ACE
Acetyltryptophan SCHEMBL57141 0.80 ALOX15 (0.79) ITGB2ICAM1ITGALALOX15ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538129-B2 modeled after unique toxins extracted from marine invertebrate Diazona angulata; antimitotic, antiproliferative and anticarcinogenic agents; to treat in particular Taxol (TM) -resistant cancers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-05-26 US disclosed
CN-101340907-A Indolin A analogues UNIV TEXAS (US) 2009-01-07 CN disclosed
US-20070149583-A1 Diazonamide a analog NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-06-28 US 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-20070149583-A1 Diazonamide a analog GLS, PKD1, PKD2 TNF 3921/4885ITGB2 4582/4885ICAM1 3109/4885

“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.