SCHEMBL5068352

SCHEMBL5068352

COc1cc(C(=O)O)cc2sc(-c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
KDM4E B2RXH2 5/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
PKM P14618 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 3/20 0.46
PPARG P37231 2/20 0.46
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL2137298 0.82 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL5946259 0.81 NQO2 (0.49) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL7053657 0.81 SMN1; SMN2 (0.45) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL23195620 0.80 CA12 (0.49) LMNARAB9APKMMAPTCA12
SCHEMBL19899948 0.80 CA12 (0.49) PKMMAPTCA12CA1CA2
SCHEMBL5069175 0.80 RAB9A (0.49) SMN1; SMN2KDM4ERAB9AHPGDPKM
SCHEMBL5946180 0.80 TTR (0.42) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL20554137 0.79 CYP3A4 (0.51) PKMMAPTCA12CA1CA2
SCHEMBL20554083 0.79 ALDH1A1 (0.51) PKMCA12CA1CA2CA3
SCHEMBL9620871 0.78 DYRK1A (0.53) SMN1; SMN2KDM4ENFKB1NFKB2RELA

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
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 SMN1; SMN2 2474/4885KDM4E 2352/4885NFKB1 3662/4885

“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.