SCHEMBL13437640

SCHEMBL13437640

FC(F)(F)c1cn(-c2ccccc2)c(-c2ccc(Br)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.47
PTGS1 P23219 7/20 0.47
NPC1 O15118 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13437642 0.85 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL3577069 0.82 PTGS2 (0.41) PTGS2PTGS1NPC1ALOX12NFKB1
SCHEMBL15459614 0.81 RAB9A (0.44) PTGS2NPC1ALOX12NFKB1RAB9A
SCHEMBL13437655 0.76 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL3573107 0.76 KDM4E (0.40) PTGS2PTGS1RAB9ASMN1; SMN2
SCHEMBL13437645 0.74 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL14278512 0.73 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL12361481 0.71 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL12978741 0.70 PTGS2 (0.70) PTGS2PTGS1
Sulfamide SCHEMBL4639731 0.69 PTGS2 (0.82) PTGS2PTGS1

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
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 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-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 PTGS2 400/4885PTGS1 487/4885NPC1 98/4885

“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.