SCHEMBL26812947

SCHEMBL26812947

O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GPR39 O43194 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ SCN9A Q15858 9/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL26812978 0.82 MAPK1 (0.49) TDP1MAPK1GPR39MAPTSMN1; SMN2
SCHEMBL26806813 0.81 MAPT (0.61) TDP1MAPK1GPR39MAPTCYP1A2
SCHEMBL26813002 0.81 GPR39 (0.53) TDP1MAPK1GPR39MAPTSLC40A1
SCHEMBL26813005 0.79 MAPT (0.56) TDP1MAPK1GPR39MAPTCYP1A2
SCHEMBL26812935 0.79 MAPT (0.50) TDP1MAPK1GPR39MAPTSCN9A
SCHEMBL26812946 0.78 MAPK1 (0.47) TDP1MAPK1GPR39MAPTSCN9A
SCHEMBL26812942 0.78 MAPK1 (0.47) TDP1MAPK1GPR39MAPTSCN9A
SCHEMBL26810944 0.77 MAPT (0.53) TDP1MAPK1GPR39MAPTCYP1A2
SCHEMBL26812825 0.77 TDP1 (0.51) TDP1MAPK1GPR39MAPTCYP1A2
SCHEMBL26813006 0.76 MAPT (0.50) TDP1MAPK1GPR39MAPTSCN9A

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 TDP1 4534/4885MAPK1 3810/4885GPR39 454/4885

“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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