SCHEMBL6705786

SCHEMBL6705786

C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NSC(C1CCCCC1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.42
CACNA1B Q00975 1/20 0.40
BIRC2 Q13490 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 1/20 0.38
F12 P00748 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL7774527 0.92 MEN1 (0.43) CYP2C19SMN1; SMN2HSD17B10ATMCACNA1B
SCHEMBL7772734 0.89 SMN1; SMN2 (0.44) CYP2C19SMN1; SMN2CACNA1BBIRC2ALDH1A1
SCHEMBL7105883 0.89 HSD17B10 (0.45) HSD17B10ATMCACNA1BBIRC2GPR119
SCHEMBL7768806 0.88 SMN1; SMN2 (0.43) CYP2C19SMN1; SMN2CACNA1BBIRC2ALDH1A1
Hydrochloric Acid SCHEMBL7772776 0.87 SMN1; SMN2 (0.45) CYP2C19SMN1; SMN2CACNA1BBIRC2ALDH1A1
SCHEMBL6363547 0.87 CYP2C19 (0.44) CYP2C19SMN1; SMN2GPR119ALDH1A1CYP2D6
SCHEMBL5116971 0.87 SMN1; SMN2 (0.45) CYP2C19SMN1; SMN2GPR119ALDH1A1CYP2D6
SCHEMBL7772730 0.86 SMN1; SMN2 (0.43) CYP2C19SMN1; SMN2CACNA1BBIRC2ALDH1A1
SCHEMBL7774847 0.85 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2ALDH1A1CYP2D6CYP2C9
SCHEMBL6362903 0.83 SMN1; SMN2 (0.44) CYP2C19SMN1; SMN2CACNA1BALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040030155-A1 Process for preparing active esters ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US disclosed
EP-1350790-A1 PROCESS FOR PREPARING ACTIVE ESTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-08 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-20040030155-A1 Process for preparing active esters CES1, CYP3A4, CYP3A5 CYP2C19 14/4885SMN1; SMN2 3902/4885HSD17B10 123/4885

“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.