SCHEMBL4945290

SCHEMBL4945290

COCCNC(=O)c1cc(CCS(=O)(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LOXL2 Q9Y4K0 6/20 0.46
LOX P28300 4/20 0.44
KIT P10721 2/20 0.43
BRAF P15056 2/20 0.43
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MTOR P42345 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL21297672 0.82 LOXL2 (0.42) ALDH1A1LOXL2KITBRAFRAB9A
SCHEMBL18049360 0.81 LOXL2 (0.66) HPGDALDH1A1LOXL2LOXKIT
SCHEMBL4937449 0.81 LOXL2 (0.46) HPGDALDH1A1LOXL2LOXKIT
Hydrochloric Acid SCHEMBL18049316 0.80 LOXL2 (0.65) HPGDALDH1A1LOXL2LOXKIT
SCHEMBL171084 0.76 HPGD (0.50) HPGDALDH1A1LOXL2LOXTP53
Lufironil SCHEMBL344625 0.76 HPGD (0.56) HPGDALDH1A1LOXL2LOXTP53
SCHEMBL4945273 0.76 TP53 (0.43) HPGDALDH1A1LOXL2LOXTP53
SCHEMBL2324995 0.74 CYP4F2 (0.40) LOXL2
SCHEMBL8842629 0.73 LOXL2 (0.50) HPGDALDH1A1LOXL2LOXTP53
SCHEMBL25692508 0.73 HPGD (0.46) HPGDALDH1A1LOXL2LOXTP53

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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 HPGD 2269/4885ALDH1A1 611/4885LOXL2 4559/4885

“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.