SCHEMBL1336932

SCHEMBL1336932

CC(C)COc1cccc(-c2cc(F)c(N)c(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
DHODH Q02127 1/20 0.44
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
FABP1 P07148 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BTK Q06187 1/20 0.37
PTGS2 P35354 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CTSA P10619 1/20 0.37
SLC16A3 O15427 5/20 0.37
SLC16A1 P53985 5/20 0.37
KAT6A Q92794 1/20 0.36
MCTS1 Q9ULC4 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ICMT O60725 1/20 0.35
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL1337603 0.91 DHODH (0.48) NR4A2DHODHFABP1BTKPTGS2
SCHEMBL1337828 0.85 TP53 (0.47) DHODHMEN1KMT2APTGS2CYP3A4
SCHEMBL1337914 0.83 KDM4E (0.48) NR4A2DHODHFABP1MEN1KMT2A
SCHEMBL1337329 0.82 SMN1; SMN2 (0.49) NR4A2DHODHMEN1KMT2A
SCHEMBL29709289 0.82 SMN1; SMN2 (0.49) NR4A2DHODHMEN1KMT2A
SCHEMBL1335619 0.81 ALDH1A1 (0.40) MEN1KMT2ACTSASLC16A3SLC16A1
SCHEMBL1335751 0.76 DHODH (0.44) DHODH
SCHEMBL23419344 0.75 RXRA (0.43) NR4A2DHODHFABP1BTKHSD17B1
SCHEMBL1335616 0.75 TP53 (0.54) PTGS2ICMTCYP3A4
SCHEMBL1337634 0.75 TP53 (0.54) DHODHPTGS2CYP3A4

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-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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 (2 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR NR4A2 1697/4885DHODH 1/4885SCN5A 3922/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR NR4A2 1697/4885DHODH 1/4885SCN5A 3922/4885

“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.