SCHEMBL22158952

SCHEMBL22158952

CC(C)(C)[S+]([O-])/N=C/c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.43
SCN9A Q15858 1/20 0.43
NFE2L2 Q16236 1/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SOS1 Q07889 1/20 0.36
HSPB1 P04792 1/20 0.36
FURIN P09958 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL22158954 1.00 SCN4A (0.43) SCN4ASCN9ANFE2L2CRHBPCRHR2
SCHEMBL22158956 1.00 SCN4A (0.43) SCN4ASCN9ANFE2L2CRHBPCRHR2
SCHEMBL30360130 0.91 TRPA1 (0.40) NFE2L2ALDH1A1LMNATRPA1NPC1
SCHEMBL1888233 0.91 TRPA1 (0.40) NFE2L2ALDH1A1LMNATRPA1NPC1
SCHEMBL1229972 0.91 TRPA1 (0.40) NFE2L2ALDH1A1LMNATRPA1NPC1
SCHEMBL25197894 0.91 TRPA1 (0.40) NFE2L2ALDH1A1LMNATRPA1NPC1
SCHEMBL25197895 0.91 TRPA1 (0.40) NFE2L2ALDH1A1LMNATRPA1NPC1
SCHEMBL22713540 0.91 TRPA1 (0.40) NFE2L2ALDH1A1LMNATRPA1NPC1
SCHEMBL1888234 0.91 TRPA1 (0.40) NFE2L2ALDH1A1LMNATRPA1NPC1
SCHEMBL22159234 0.86 NPC1 (0.47) SOS1FURINALDH1A1L3MBTL1LMNA

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
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A SCN4A 2817/4885SCN9A 1530/4885NFE2L2 1155/4885

“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.