SCHEMBL8632286

SCHEMBL8632286

O=S(=O)(Nc1n[nH]cc1-c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
KDR P35968 1/20 0.45
IL1RN P18510 1/20 0.44
KEAP1 Q14145 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 3/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
IMPDH2 P12268 2/20 0.43
HSD11B1 P28845 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8630955 0.91 IMPDH2 (0.54) KITKDRIL1RNKEAP1ERAP1
SCHEMBL8632960 0.90 KEAP1 (0.51) KITKDRKEAP1KDM4ENPSR1
SCHEMBL8627973 0.90 KDM1A (0.51) KITKDRKDM4ENPSR1RXFP1
SCHEMBL8634763 0.90 NAT1 (0.45) KITKDRIL1RNKEAP1ERAP1
SCHEMBL8632837 0.90 LMNA (0.51) KITKDRKEAP1KDM4ELMNA
SCHEMBL8631178 0.90 STAT3 (0.47) KITKDRKEAP1KDM4ENPSR1
SCHEMBL8632208 0.88 STAT3 (0.51) KEAP1LMNAKMT2AALDH1A1MAPT
SCHEMBL8629748 0.88 PIK3CA (0.52) KEAP1ALDH1A1GAAPIK3CAMAPT
SCHEMBL8631345 0.87 MCL1 (0.49) KDM4ELMNACA2CA12CA9
SCHEMBL8628203 0.87 ALDH1A1 (0.46) KITKDRKDM4ENPSR1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-23 US claimed
EP-4225737-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP claimed
WO-2022076628-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO claimed
US-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-23 US disclosed
US-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-23 US disclosed
US-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-23 US disclosed
EP-4225737-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076628-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 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-20230373939-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KIT 4728/4885KDR 4392/4885IL1RN 723/4885

“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.