SCHEMBL26812997

SCHEMBL26812997

CCCS(=O)(=O)Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ PTGS1 P23219 1/20 0.48
▸ GPR39 O43194 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ ADORA1 P30542 4/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ CYP2C19 P33261 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL26812908 0.85 MAPK1 (0.51) MAPK1TDP1GPR39MAPTALDH1A1
SCHEMBL26812934 0.84 MAPK1 (0.52) MAPK1TDP1GPR39MAPTALDH1A1
SCHEMBL26812909 0.84 TDP1 (0.47) MAPK1TDP1GPR39MAPTALDH1A1
SCHEMBL26813008 0.83 LTB4R (0.48) MAPK1TDP1GPR39MAPTALDH1A1
SCHEMBL26812993 0.82 MAPK1 (0.48) MAPK1TDP1GPR39MAPTALDH1A1
SCHEMBL26806813 0.82 MAPT (0.61) MAPK1TDP1GPR39MAPTALDH1A1
SCHEMBL26812998 0.80 TDP1 (0.54) MAPK1TDP1GPR39MAPTALDH1A1
SCHEMBL26812990 0.80 TDP1 (0.54) MAPK1TDP1GPR39MAPTGRIN1
SCHEMBL26813023 0.80 MAPT (0.58) MAPK1TDP1MAPTALDH1A1CYP1A2
SCHEMBL26812825 0.78 TDP1 (0.51) MAPK1TDP1GPR39MAPTALDH1A1

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 MAPK1 3810/4885TDP1 4534/4885PTGS1 1471/4885

“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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