SCHEMBL21623652

SCHEMBL21623652

Cc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.72
ITGB2 P05107 4/20 0.72
ICAM1 P05362 4/20 0.72
ITGAL P20701 4/20 0.72
HDAC8 Q9BY41 2/20 0.71
HDAC3 O15379 1/20 0.71
HDAC4 P56524 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
P2RY14 Q15391 1/20 0.69
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA9 Q16790 1/20 0.67
TACR1 P25103 3/20 0.66

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
SCHEMBL11875059 1.00 ERAP2 (0.72) ERAP2ITGB2ICAM1ITGALHDAC8
SCHEMBL11864161 1.00 ERAP2 (0.72) ERAP2ITGB2ICAM1ITGALHDAC8
Oxalic Acid SCHEMBL11878751 0.98 ERAP2 (0.70) ERAP2ITGB2ICAM1ITGALHDAC8
SCHEMBL30616778 0.92 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL5191302 0.92 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL5259129 0.92 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL9466705 0.92 ITGB2 (0.78) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL11870861 0.91 ERAP2 (0.76) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL22206878 0.90 ITGB2 (0.77) ERAP2ITGB2ICAM1ITGALCA12
SCHEMBL22206876 0.90 ITGB2 (0.77) ERAP2ITGB2ICAM1ITGALCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US claimed
EP-3939968-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME Medicinal Bioconvergence Research Center (KR) 2022-01-19 EP claimed
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 WO claimed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
EP-3939968-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME Medicinal Bioconvergence Research Center (KR) 2022-01-19 EP disclosed
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 WO disclosed
WO-2020014726-A1 TREATMENT FOR LIVER REGENERATION XENEXUS PHARMACEUTICALS PTY. LTD. (AU) 2020-01-23 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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 ERAP2 95/4885ITGB2 2981/4885ICAM1 3508/4885

“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.