SCHEMBL21780200

SCHEMBL21780200

N=C(NCCN)NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
LARS1 Q9P2J5 1/20 0.46
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HTR6 P50406 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 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
SCHEMBL26983176 0.82 CA12 (0.63) LARS1CA2CA1CA12CA9
SCHEMBL174174 0.79 KEAP1 (0.56) KDM4ECA12CA9GAASMN1; SMN2
SCHEMBL1269819 0.77 CA2 (0.54) KDM4ELARS1CA2CA1CA12
SCHEMBL9503197 0.75 CA2 (0.57) KDM4ELARS1CA2CA1CA12
SCHEMBL21780201 0.75 MALT1 (0.47) KDM4ELARS1CA2CA1CA12
SCHEMBL451810 0.73 CYP3A4 (0.69) KDM4ECA2CA1CA12CA9
SCHEMBL1161379 0.73 EGFR (0.55) KDM4ELARS1CA2CA1HPGD
Hydrochloric Acid SCHEMBL5015149 0.72 CYP3A4 (0.67) KDM4ECA2CA1CA12CA9
SCHEMBL14058721 0.71 CA2 (0.47) KDM4ELARS1CA2CA1CA12
Acetic Acid SCHEMBL27681643 0.71 BCAT1 (0.51) KDM4ELARS1CA2CA1HPGD

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
EP-3617198-B1 GUANIDINE DERIVATIVE LUNAN PHARMACEUTICAL GROUP CORP (CN) 2023-10-25 EP disclosed
US-20200325109-A1 IMINO-UREA DERIVATIVES Carolina Cloud Exchange Inc. 2020-10-15 US disclosed
EP-3617198-A1 GUANIDINE DERIVATIVE Lunan Pharmaceutical Group Corporation (CN) 2020-03-04 EP 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-20200325109-A1 IMINO-UREA DERIVATIVES IDO2, IDO1, INMT KDM4E 1479/4885LARS1 3762/4885CA2 3506/4885

“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.