SCHEMBL15123790

SCHEMBL15123790

COC(=O)c1sc(C#CC(C)C)cc1N(CC(=O)N1CCOCC1)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 1/20 0.66
▸ NR1I2 O75469 2/20 0.36
▸ EPHX2 P34913 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 3/20 0.31
▸ MCOLN3 Q8TDD5 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ FKBP1A P62942 2/20 0.31

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
SCHEMBL15123792 1.00 CYP2E1 (0.66) CYP2E1NR1I2EPHX2ALDH1A1KDM4E
SCHEMBL15130716 0.91 CYP2E1 (0.79) CYP2E1NR1I2EPHX2ALDH1A1GLA
SCHEMBL319216 0.91 CYP2E1 (0.64) CYP2E1NR1I2EPHX2ALDH1A1KDM4E
SCHEMBL10265151 0.91 CYP2E1 (0.64) CYP2E1NR1I2EPHX2ALDH1A1KDM4E
SCHEMBL15124146 0.90 CYP2E1 (0.53) CYP2E1NR1I2ALDH1A1
SCHEMBL10265483 0.90 CYP2E1 (0.53) CYP2E1NR1I2ALDH1A1
SCHEMBL319040 0.89 CYP2E1 (0.67) CYP2E1NR1I2EPHX2ALDH1A1GLA
SCHEMBL319041 0.89 CYP2E1 (0.67) CYP2E1NR1I2EPHX2ALDH1A1GLA
SCHEMBL10265040 0.89 CYP2E1 (0.67) CYP2E1NR1I2EPHX2ALDH1A1KDM4E
SCHEMBL15123904 0.89 CYP2E1 (0.67) CYP2E1NR1I2EPHX2ALDH1A1KDM4E

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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 — — 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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL CYP2E1 1027/4885NR1I2 1500/4885EPHX2 2888/4885

“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.

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