SCHEMBL14982016

SCHEMBL14982016

Cc1ccc(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C(C)C)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 1/20 0.38
▸ NR1I2 O75469 2/20 0.36
▸ BCL2L1 Q07817 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ NPC1 O15118 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL1958417 0.91 CYP2E1 (0.38) CYP2E1NR1I2MCL1MEN1KMT2A
SCHEMBL14982020 0.86 CYP2E1 (0.38) CYP2E1NR1I2MCL1
SCHEMBL14982034 0.83 CYP2E1 (0.42) CYP2E1NR1I2BCL2L1MCL1NPC1
SCHEMBL14982017 0.82 CYP2E1 (0.47) CYP2E1NR1I2NPC1RAB9AMEN1
SCHEMBL1958389 0.82 CYP3A4 (0.34) CYP2E1MEN1KMT2A
SCHEMBL1960212 0.81 NR1I2 (0.43) CYP2E1NR1I2BCL2L1MCL1NPC1
SCHEMBL1960213 0.81 NR1I2 (0.43) CYP2E1NR1I2BCL2L1MCL1NPC1
SCHEMBL1958399 0.81 FLT1 (0.35) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL1961790 0.80 CYP2E1 (0.36) CYP2E1NR1I2RAB9AMEN1KMT2A
SCHEMBL14985395 0.79 CYP2E1 (0.37) CYP2E1NR1I2MEN1KMT2A

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-20130136719-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-30 — — 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-20130136719-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, GTF3C3, ZC3HAV1 CYP2E1 75/4885NR1I2 312/4885BCL2L1 1540/4885

“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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