SCHEMBL21354091

SCHEMBL21354091

Cc1c(O)ccc2c3c(c(=O)oc12)CN(C(=O)O)CC3

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
GAA P10253 3/20 0.62
GLA P06280 2/20 0.62
HPGD P15428 2/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MAOA P21397 1/20 0.62
MAPK1 P28482 1/20 0.62
ERN1 O75460 12/20 0.60
LMNA P02545 1/20 0.52
MTHFD2 P13995 2/20 0.50
MTHFD1 P11586 1/20 0.50
ESR2 Q92731 2/20 0.47
ESR1 P03372 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20208562 0.84 KDM4E (0.55) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL21354099 0.82 ERN1 (0.58) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL21354085 0.82 MTHFD2 (0.67) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL21101440 0.81 ERN1 (0.74) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL21354141 0.80 MTHFD2 (0.45) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL21354142 0.79 MTHFD2 (0.51) KDM4EALDH1A1HPGDHSD17B10MAOA
SCHEMBL21354109 0.79 MTHFD2 (0.64) ERN1MTHFD2MTHFD1
SCHEMBL21354155 0.79 MTHFD2 (0.51) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL31535207 0.79 MTHFD2 (0.51) KDM4EALDH1A1HPGDHSD17B10MAOA
SCHEMBL21354135 0.77 MTHFD2 (0.65) ERN1MTHFD2MTHFD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3546463-B1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON DAIICHI SANKYO CO LTD (JP) 2022-12-07 EP disclosed
US-10774087-B2 Sulfonamide derivative having coumarin skeleton DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-09-15 US disclosed
EP-3546463-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON Daiichi Sankyo Co., Ltd. (JP) 2019-10-02 EP disclosed
US-20190284198-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-09-19 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 (2 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-20190284198-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON MTHFD1, MTHFD2, DHFR KDM4E 3782/4885ALDH1A1 220/4885GAA 1082/4885
US-10774087-B2 Sulfonamide derivative having coumarin skeleton MTHFD1, MTHFD2, DHFR KDM4E 3782/4885ALDH1A1 220/4885GAA 1082/4885

“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.