SCHEMBL671065

SCHEMBL671065

CC(C)(C)C#Cc1cc(N(Cc2ccccc2)C(=O)[C@H]2CC[C@H](C)CC2)c(C(=O)O)s1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.67
NR1I2 O75469 2/20 0.59
CPB1 P15086 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NR1H4 Q96RI1 1/20 0.33
PTGES O14684 4/20 0.33
PKM P14618 1/20 0.32
ALOX5 P09917 1/20 0.32
CCR5 P51681 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL15498201 1.00 CYP2E1 (0.67) CYP2E1NR1I2CPB1MEN1KMT2A
SCHEMBL670275 0.91 CYP2E1 (0.57) CYP2E1NR1I2CPB1MEN1KMT2A
SCHEMBL669432 0.91 CYP2E1 (0.57) CYP2E1NR1I2CPB1MEN1KMT2A
SCHEMBL15498221 0.90 CYP2E1 (0.61) CYP2E1NR1I2LMNAPOLB
SCHEMBL15498319 0.90 CYP2E1 (0.61) CYP2E1NR1I2LMNAPOLB
SCHEMBL12473856 0.88 CYP2E1 (0.54) CYP2E1NR1I2CPB1LMNAALDH1A1
SCHEMBL15498321 0.86 CYP2E1 (0.74) CYP2E1NR1I2
SCHEMBL10206082 0.86 CYP2E1 (0.74) CYP2E1NR1I2
SCHEMBL15498256 0.86 CYP2E1 (0.64) CYP2E1NR1I2LMNAALDH1A1
SCHEMBL10206582 0.86 CYP2E1 (0.64) CYP2E1NR1I2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
EP-2606041-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-06-26 EP disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 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-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS GOT1, RNASE1, SLC10A1 CYP2E1 275/4885NR1I2 1347/4885CPB1 715/4885

“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.