SCHEMBL20099653

SCHEMBL20099653

Cc1ccc(S(=O)(=O)N/N=C2/CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 7/20 0.49
MMP13 P45452 1/20 0.48
STS P08842 3/20 0.47
ESR2 Q92731 1/20 0.42
KIT P10721 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
NR1H2 P55055 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2513062 0.94 KMT2A (0.49) KMT2AMEN1ALDH1A1MMP13STS
SCHEMBL994328 0.94 KMT2A (0.49) KMT2AMEN1ALDH1A1MMP13STS
SCHEMBL18137607 0.93 KMT2A (0.54) KMT2AMEN1ALDH1A1MMP13STS
SCHEMBL18397145 0.91 KMT2A (0.51) KMT2AMEN1ALDH1A1MMP13STS
SCHEMBL23348324 0.89 STS (0.57) ALDH1A1MMP13STS
SCHEMBL21815402 0.83 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL22050819 0.82 STS (0.62) ALDH1A1MMP13STS
SCHEMBL28527952 0.82 KMT2A (0.50) KMT2AMEN1ALDH1A1MMP13STS
SCHEMBL25408371 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1MMP13STS
SCHEMBL30397615 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MMP13STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118750-A1 IMIDAZO ISOINDOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-05-03 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-20180118750-A1 IMIDAZO ISOINDOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF IDO1, IDO2, TPH1 KMT2A 1704/4885MEN1 498/4885ALDH1A1 479/4885

“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.