SCHEMBL26813002

SCHEMBL26813002

O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR39 O43194 1/20 0.53
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GLO1 Q04760 6/20 0.42
▸ SLC40A1 Q9NP59 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL24310193 0.84 MAPK1 (0.48) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL26812723 0.84 MAPT (0.50) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL29566739 0.84 MAPK1 (0.48) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL26806813 0.84 MAPT (0.61) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL26812946 0.83 MAPK1 (0.47) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL26812951 0.83 MAPK1 (0.47) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL26813005 0.82 MAPT (0.56) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL26812838 0.82 MAPK1 (0.46) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL26812947 0.81 TDP1 (0.47) GPR39MAPK1TDP1MAPTCYP1A2
SCHEMBL24310808 0.80 MAPK1 (0.46) GPR39MAPK1TDP1MAPTCYP1A2

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 GPR39 454/4885MAPK1 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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