SCHEMBL26812852

SCHEMBL26812852

O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ PTGS2 P35354 4/20 0.45
▸ PTGS1 P23219 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SLC40A1 Q9NP59 2/20 0.45
▸ SDHB P21912 2/20 0.43
▸ GPR39 O43194 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ BLM P54132 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL26810932 0.92 MAPT (0.47) MAPTPTGS2PTGS1SLC40A1SDHB
SCHEMBL26813018 0.87 MAPT (0.55) MAPTPTGS2PTGS1MAPK1TDP1
SCHEMBL24310594 0.86 MAPT (0.57) MAPTMAPK1TDP1GPR39ADAMTS4
SCHEMBL26812827 0.86 MAPT (0.51) MAPTMAPK1TDP1GPR39ADAMTS4
SCHEMBL26812848 0.85 MAPT (0.50) MAPTPTGS2MAPK1TDP1GPR39
SCHEMBL26806813 0.84 MAPT (0.61) MAPTMAPK1TDP1GPR39MEN1
SCHEMBL26812683 0.83 MAPT (0.48) MAPTMAPK1TDP1GPR39ADAMTS4
SCHEMBL26810791 0.82 GPR39 (0.45) MAPTPTGS2PTGS1MAPK1TDP1
SCHEMBL26813006 0.81 MAPT (0.50) MAPTMAPK1TDP1SLC40A1GPR39
SCHEMBL24310173 0.81 MAPT (0.77) MAPTMAPK1TDP1GPR39MEN1

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 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 (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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MAPT 4864/4885PTGS2 1821/4885PTGS1 1471/4885

“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.

Send feedback