SCHEMBL22499576

SCHEMBL22499576

CC(C)(C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.44
▸ POLB P06746 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ CYP19A1 P11511 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 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
SCHEMBL22499584 0.86 CA12 (0.47) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL24506847 0.85 ALDH1A1 (0.56) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL29384364 0.85 ALDH1A1 (0.56) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL22499562 0.84 MAPT (0.63) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL29382007 0.84 MAPT (0.63) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL10536600 0.84 KMT2A (0.59) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL13059466 0.83 MAPT (0.49) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL22499583 0.82 MAPT (0.57) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL29384824 0.82 MAPT (0.57) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL22499593 0.82 MAPT (0.57) PKMPOLBMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174259-A Modulators of intracellular chloride concentration 意大利学院科技基金会 2022-03-11 — — CN claimed
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 — — EP claimed
WO-2020202072-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-10-08 — — WO claimed
US-20220184008-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2022-06-16 — — US disclosed
CN-114174259-A Modulators of intracellular chloride concentration 意大利学院科技基金会 2022-03-11 — — CN disclosed
EP-3947345-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION Fondazione Istituto Italiano di Tecnologia (IT) 2022-02-09 — — EP disclosed
WO-2020202072-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-10-08 — — 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-20220184008-A1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION SLC6A1, SLC6A13, SLC6A11 PKM 969/4885POLB 4307/4885MAPT 956/4885

“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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