SCHEMBL24310577

SCHEMBL24310577

Cc1ccccc1-c1cc(Oc2c(C)cccc2Cl)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ PIK3C2G O75747 1/20 0.36
▸ PKM P14618 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ ERN1 O75460 1/20 0.35

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
SCHEMBL29566688 1.00 SMN1; SMN2 (0.40) SMN1; SMN2TSHRPOLBMAPTSLC22A12
SCHEMBL24309272 0.91 SMN1; SMN2 (0.36) SMN1; SMN2TSHRPOLBMAPTSLC22A12
SCHEMBL29567003 0.91 SMN1; SMN2 (0.36) SMN1; SMN2TSHRPOLBMAPTSLC22A12
SCHEMBL29566697 0.90 TSHR (0.38) SMN1; SMN2TSHRPOLBMAPTSLC22A12
SCHEMBL24309704 0.90 TSHR (0.38) SMN1; SMN2TSHRPOLBMAPTSLC22A12
SCHEMBL24309603 0.86 POLB (0.45) SMN1; SMN2TSHRPOLBMAPTLMNA
SCHEMBL29566753 0.86 POLB (0.43) SMN1; SMN2TSHRPOLBMAPTKDM1A
SCHEMBL24309642 0.86 POLB (0.43) SMN1; SMN2TSHRPOLBMAPTKDM1A
SCHEMBL29567277 0.86 PGR (0.42) SMN1; SMN2TSHRPOLBMAPTKDM1A
SCHEMBL26807133 0.86 PGR (0.42) SMN1; SMN2TSHRPOLBMAPTKDM1A

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 3 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
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 SMN1; SMN2 4847/4885TSHR 1755/4885POLB 3593/4885

“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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