SCHEMBL24309652

SCHEMBL24309652

O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MAPT P10636 5/20 0.46
▸ ACLY P53396 3/20 0.45
▸ PTPN1 P18031 3/20 0.44
▸ PTPN5 P54829 3/20 0.44
▸ HSPD1 P10809 2/20 0.44
▸ HSPE1 P61604 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GPR39 O43194 1/20 0.42
▸ CYP1A2 P05177 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 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
SCHEMBL29567152 1.00 TDP1 (0.50) TDP1MAPK1MAPTACLYPTPN1
SCHEMBL24310225 0.86 MAPT (0.52) TDP1MAPK1MAPTPTPN1PTPN5
SCHEMBL26812913 0.84 ACLY (0.48) TDP1MAPK1MAPTACLYPTPN1
SCHEMBL26806813 0.84 MAPT (0.61) TDP1MAPK1MAPTALDH1A1GPR39
SCHEMBL26812715 0.82 AR (0.47) TDP1MAPK1MAPTPTPN1PTPN5
SCHEMBL29568154 0.82 AR (0.47) TDP1MAPK1MAPTPTPN1PTPN5
SCHEMBL26880972 0.82 MAPK1 (0.46) TDP1MAPK1MAPTALDH1A1GPR39
SCHEMBL24310547 0.81 MAPT (0.50) TDP1MAPK1MAPTPTPN1PTPN5
SCHEMBL26813005 0.80 MAPT (0.56) TDP1MAPK1MAPTALDH1A1GPR39
SCHEMBL26812825 0.80 TDP1 (0.51) TDP1MAPK1MAPTALDH1A1GPR39

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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US 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 TDP1 4534/4885MAPK1 3810/4885MAPT 4864/4885

“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