SCHEMBL26685489

SCHEMBL26685489

CCOC(=O)c1c(C(F)(F)F)cnc(O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 5/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 4/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CACNA1C Q13936 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CRHBP P24387 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
SCHEMBL26616112 0.84 NOTUM (0.43) CA12CA1CA2CA7CA9
SCHEMBL30631449 0.84 NOTUM (0.43) CA12CA1CA2CA7CA9
SCHEMBL26608462 0.75 ASPH (0.33)
SCHEMBL30593133 0.75 ASPH (0.33)
SCHEMBL16857302 0.72 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ECA12CA1
SCHEMBL25840262 0.72 KDM4E (0.54) ALDH1A1L3MBTL1KDM4EMAPTKMT2A
SCHEMBL10370416 0.70 KDM4E (0.48) ALDH1A1L3MBTL1KDM4ECA12CA1
SCHEMBL29761820 0.70 ALDH1A1 (0.64) ALDH1A1L3MBTL1KDM4EMAPTTSHR
SCHEMBL30294756 0.70 CA12 (0.51) ALDH1A1L3MBTL1KDM4ECA12CA1
SCHEMBL22853023 0.70 CA12 (0.51) ALDH1A1L3MBTL1KDM4ECA12CA1

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-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 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-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885L3MBTL1 4316/4885KDM4E 4346/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885L3MBTL1 4316/4885KDM4E 4346/4885

“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.