SCHEMBL25037577

SCHEMBL25037577

COc1cc(N)c(C(=O)OCCS(C)(C)C)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 2/20 0.53
HTR4 Q13639 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 2/20 0.45
HTR3A P46098 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL25039895 0.80 NPC1 (0.43) KDM4EKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL3373962 0.80 KDM4E (0.69) KDM4EKMT2AHTR4CYP3A4CYP2D6
SCHEMBL25037576 0.79 KDM4E (0.59) KDM4EKMT2AHTR4CYP3A4CYP2D6
SCHEMBL25039191 0.78 KDM4E (0.58) KDM4EKMT2AHTR4CYP3A4CYP2D6
SCHEMBL25040521 0.78 KMT2A (0.51) KMT2ACYP3A4MEN1
SCHEMBL18373610 0.77 KDM4E (0.56) KDM4EKMT2AHTR4CYP3A4CYP2D6
SCHEMBL11404760 0.76 KDM4E (0.79) KDM4EKMT2ACYP3A4TSHRGAA
SCHEMBL372600 0.76 KDM4E (1.00) KDM4EKMT2ATSHRGAAGLA
SCHEMBL31408659 0.76 KDM4E (1.00) KDM4EKMT2ATSHRGAAGLA
SCHEMBL8788521 0.75 KDM4E (0.61) KDM4EKMT2AHTR4CYP3A4CYP2D6

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-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 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-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 KDM4E 1437/4885KMT2A 3652/4885HTR4 2537/4885

“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.