SCHEMBL23257707

SCHEMBL23257707

CC(C)(C)OC(=O)N1Cc2ccccc2C(O)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.54
MAPK1 P28482 1/20 0.52
ABHD6 Q9BV23 1/20 0.49
TAOK3 Q9H2K8 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GPR119 Q8TDV5 1/20 0.44
ESR2 Q92731 1/20 0.44
PRMT5 O14744 4/20 0.43
WDR77 Q9BQA1 4/20 0.43
NR1H2 P55055 1/20 0.43
RORC P51449 1/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL29457612 1.00 NAMPT (0.54) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL29570948 0.86 MAPK1 (0.56) NAMPTMAPK1DDB1CRBNGPR119
SCHEMBL24326297 0.86 ESR2 (0.48) NAMPTMAPK1DDB1CRBNGPR119
SCHEMBL29571093 0.86 ESR2 (0.48) NAMPTMAPK1DDB1CRBNGPR119
SCHEMBL24326498 0.86 MAPK1 (0.56) NAMPTMAPK1DDB1CRBNGPR119
SCHEMBL11929935 0.86 ABHD6 (0.65) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL22334380 0.85 MAPK1 (0.52) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL29813705 0.85 NAMPT (0.53) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL2902496 0.85 NAMPT (0.53) NAMPTMAPK1ABHD6TAOK3DDB1
SCHEMBL3703899 0.84 NAMPT (0.52) NAMPTMAPK1ABHD6TAOK3DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891951-B Compounds of formula (I) 谢菲尔德大学 2024-08-20 CN disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 US disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022074177-A1 DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION Technische Universität Berlin (DE) 2022-04-14 WO disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
CN-110891951-A Compound (I) 谢菲尔德大学 2020-03-17 CN 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 (4 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NAMPT 2168/4885MAPK1 3589/4885ABHD6 1960/4885
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NAMPT 1941/4885MAPK1 3660/4885ABHD6 1870/4885
US-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 NAMPT 3357/4885MAPK1 1789/4885ABHD6 2837/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 NAMPT 3357/4885MAPK1 1789/4885ABHD6 2837/4885

“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.