SCHEMBL663757

SCHEMBL663757

CC(C)(C)c1cc(CNC2CCCC[C@H]2NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.59
CYP2D6 P10635 4/20 0.59
CYP1A2 P05177 4/20 0.59
CYP2C9 P11712 4/20 0.59
TSHR P16473 3/20 0.54
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.51
HTT P42858 2/20 0.51
XBP1 P17861 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
PABPC1 P11940 1/20 0.40
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
TACR1 P25103 1/20 0.38
HSPA5 P11021 2/20 0.37
NR5A2 O00482 1/20 0.36

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
SCHEMBL1881392 1.00 CYP2C19 (0.59) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL663756 1.00 CYP2C19 (0.59) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL5673666 1.00 CYP2C19 (0.59) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL30874729 0.99 CYP2C19 (0.58) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL8783194 0.99 CYP2C19 (0.58) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL30505546 0.95 CYP2C19 (0.54) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL10040348 0.94 CYP2C19 (0.56) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL17295969 0.91 CYP2C19 (0.53) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL6057504 0.87 CYP2C19 (0.78) CYP2C19CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL24425958 0.87 CYP2D6 (0.77) CYP2C19CYP2D6CYP1A2CYP2C9TSHR

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
US-8889873-B2 Process for the preparation of enantiomerically enriched proton pump inhibitors LEK PHARMACEUTICALS D.D. (SI) 2014-11-18 US disclosed
US-20120046319-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS LEK PHARMACEUTICALS D.D. (SI) 2012-02-23 US disclosed
EP-2264024-A1 Process for the preparation of enantiomerically enriched proton pump inhibitors LEK Pharmaceuticals d.d. (SI) 2010-12-22 EP disclosed
WO-2010043601-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS LEK PHARMACEUTICALS D.D. (SI) 2010-04-22 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-20120046319-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED PROTON PUMP INHIBITORS PPOX, HPD, HRH2 CYP2C19 10/4885CYP2D6 14/4885CYP1A2 26/4885

“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.