SCHEMBL319216

SCHEMBL319216

COC(=O)c1sc(C#CCC(C)C)cc1N(CC(=O)N1CCOCC1)C(=O)C1CCC(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 1/20 0.64
▸ NR1I2 O75469 2/20 0.36
▸ EPHX2 P34913 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ GAA P10253 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MCOLN3 Q8TDD5 1/20 0.30
▸ APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL10265151 1.00 CYP2E1 (0.64) CYP2E1NR1I2EPHX2ALDH1A1GAA
SCHEMBL318804 0.91 CYP2E1 (0.77) CYP2E1NR1I2EPHX2GAASMN1; SMN2
SCHEMBL15123904 0.91 CYP2E1 (0.67) CYP2E1NR1I2EPHX2ALDH1A1GAA
SCHEMBL15124013 0.91 CYP2E1 (0.77) CYP2E1NR1I2EPHX2GAASMN1; SMN2
SCHEMBL10265040 0.91 CYP2E1 (0.67) CYP2E1NR1I2EPHX2ALDH1A1GAA
SCHEMBL15123790 0.91 CYP2E1 (0.66) CYP2E1NR1I2EPHX2ALDH1A1GAA
SCHEMBL15123792 0.91 CYP2E1 (0.66) CYP2E1NR1I2EPHX2ALDH1A1GAA
SCHEMBL319041 0.88 CYP2E1 (0.67) CYP2E1NR1I2EPHX2ALDH1A1SMN1; SMN2
SCHEMBL319040 0.88 CYP2E1 (0.67) CYP2E1NR1I2EPHX2ALDH1A1SMN1; SMN2
SCHEMBL10266124 0.87 CYP2E1 (0.58) CYP2E1EPHX2ALDH1A1GAAKDM4E

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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 — — US disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 — — EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — 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-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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