SCHEMBL9920609

SCHEMBL9920609

CCCCOc1ccc2sc(C(=O)OC)c(Cl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 2/20 0.45
PLA2G2A P14555 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.44
PRNP P04156 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
HTT P42858 1/20 0.44
MAPK10 P53779 1/20 0.44
NCOA2 Q15596 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL5230453 0.90 MAPT (0.55) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6656891 0.85 MAPK1 (0.58) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL15465845 0.81 EDNRA (0.59) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL6196210 0.77 RXFP1 (0.53) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9920618 0.77 MAPT (0.47) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15471997 0.76 BCL2L1 (0.55) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL8021621 0.76 HPGD (0.48) MAPTCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL5228162 0.76 MAPT (0.54) MAPTALDH1A1CYP1A2LMNAKDM4E
SCHEMBL8412494 0.75 NPSR1 (0.74) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL20563093 0.75 MAPT (0.48) MAPTALDH1A1LMNAKDM4EGAA

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-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 WO 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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 MAPT 2558/4885ALDH1A1 4548/4885CYP1A2 4827/4885

“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.