SCHEMBL29985665

SCHEMBL29985665

Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.59
▸ PSIP1 O75475 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ FABP3 P05413 1/20 0.42
▸ FABP4 P15090 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LTB4R Q15722 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
SCHEMBL27205400 0.86 PSIP1 (0.57) CYP3A4PSIP1SMN1; SMN2GAAMAPT
SCHEMBL27177326 0.86 PSIP1 (0.57) CYP3A4PSIP1SMN1; SMN2GAAMAPT
SCHEMBL29985876 0.86 PSIP1 (0.57) CYP3A4PSIP1SMN1; SMN2GAAMAPT
SCHEMBL30887308 0.86 PSIP1 (0.57) CYP3A4PSIP1SMN1; SMN2GAAMAPT
SCHEMBL10271608 0.84 CYP3A4 (0.53) CYP3A4PSIP1GAAMAPTLMNA
SCHEMBL1699506 0.83 CYP3A4 (0.52) CYP3A4PSIP1GAAMAPTFABP3
SCHEMBL1699493 0.83 CYP3A4 (0.52) CYP3A4PSIP1GAAMAPTLMNA
SCHEMBL1699278 0.82 CYP3A4 (0.49) CYP3A4PSIP1MAPTFABP3FABP4
SCHEMBL1699246 0.82 CYP3A4 (0.49) CYP3A4PSIP1MAPTFABP3FABP4
SCHEMBL12630033 0.81 PSIP1 (0.60) CYP3A4PSIP1SMN1; SMN2FABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220323494-A1 Novel Control Switch GLAXOSMITHKLINE IP DEV LTD (GB) 2022-10-13 — — 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-20220323494-A1 Novel Control Switch TNFRSF9, TNFRSF1A, TNFSF11 CYP3A4 3831/4885PSIP1 1442/4885SMN1; SMN2 2651/4885

“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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