SCHEMBL26812683

SCHEMBL26812683

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ADAMTS4 O75173 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ PGR P06401 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PIM1 P11309 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
SCHEMBL26812660 0.85 MAPT (0.58) MAPTMAPK1TDP1MMP1PGR
SCHEMBL24310594 0.84 MAPT (0.57) MAPTMAPK1TDP1ADAMTS4MMP1
SCHEMBL26812827 0.84 MAPT (0.51) MAPTMAPK1TDP1ADAMTS4MMP1
SCHEMBL26812852 0.83 MAPT (0.50) MAPTMAPK1TDP1ADAMTS4MMP1
SCHEMBL26812848 0.83 MAPT (0.50) MAPTMAPK1TDP1ADAMTS4MMP1
SCHEMBL26812645 0.82 PGR (0.61) MAPTTDP1MMP1MMP2MMP13
SCHEMBL26806813 0.82 MAPT (0.61) MAPTMAPK1TDP1PGRGPR39
SCHEMBL24310219 0.81 MAPK1 (0.43) MAPTMAPK1TDP1GPR39MEN1
SCHEMBL29568154 0.80 AR (0.47) MAPTMAPK1TDP1MMP1MMP2
SCHEMBL26812715 0.80 AR (0.47) MAPTMAPK1TDP1MMP1MMP2

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 4 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 4864/4885MAPK1 3810/4885TDP1 4534/4885

“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.

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