SCHEMBL1337772

SCHEMBL1337772

Nc1c(F)cc(-c2ccc3c(c2)OCCO3)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PTGS2 P35354 4/20 0.44
PTGS1 P23219 2/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CD274 Q9NZQ7 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PDCD1 Q15116 1/20 0.39
MAOB P27338 1/20 0.39
NAAA Q02083 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38

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
SCHEMBL1337019 0.91 SRC (0.44) PTGS2PTGS1NPC1RAB9AMAPT
SCHEMBL1337590 0.84 DYRK1A (0.57) NPC1RAB9AMAPTSMN1; SMN2NAAA
SCHEMBL1337704 0.79 CA12 (0.50) PTGS2PTGS1NPC1RAB9AMAPT
SCHEMBL15677665 0.74 ALOX5 (0.72) ALOX5NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14320591 0.71 MAPT (0.60) ALOX5NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3822936 0.70 CA1 (0.43) PTGS2PTGS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3903052 0.69 CA12 (0.50) PTGS2PTGS1NPC1RAB9AMAPT
SCHEMBL1337498 0.68 DYRK1A (0.54) PTGS2PTGS1NPC1RAB9AMAPT
SCHEMBL1336715 0.68 ALDH1A1 (0.44) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL979607 0.67 CYP11B1 (0.56) ALOX5NPC1RAB9AMAPTSMN1; SMN2

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 ALOX5 282/4885PTGS2 62/4885PTGS1 55/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALOX5 282/4885PTGS2 62/4885PTGS1 55/4885

“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.