SCHEMBL13155293

SCHEMBL13155293

CC(C)S(=O)(=O)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
KDM1A O60341 2/20 0.46
UQCRB P14927 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
RORC P51449 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IKBKB O14920 1/20 0.43
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42

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
SCHEMBL12649969 0.85 CDK1 (0.58) CA1CYP1A2CYP3A4MAPTMAPK1
SCHEMBL4403147 0.81 NR3C2 (0.54) UQCRBCA1CA2CYP1A2CYP3A4
SCHEMBL13935835 0.81 UQCRB (0.49) UQCRBCA1CA2CYP1A2CYP3A4
SCHEMBL27183274 0.78 UQCRB (0.50) UQCRBCA1CA2CYP1A2CYP3A4
SCHEMBL8274370 0.78 NR3C2 (0.57) EPHX2NR1H4UQCRBCA1CA2
SCHEMBL13468554 0.77 HPGD (0.51) KDM1ACYP1A2CYP3A4MAPTMAPK1
SCHEMBL22928260 0.77 CA2 (0.58) EPHX2KDM1AUQCRBCA1CA2
SCHEMBL13155248 0.77 HTT (0.56) UQCRBCA1CA2CYP1A2CYP3A4
SCHEMBL20782065 0.76 PARP1 (0.47) EPHX2NR1H4KDM1ACYP3A4IKBKB
SCHEMBL22928261 0.76 CYP3A4 (0.48) UQCRBCA1CA2CYP1A2CYP3A4

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
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 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 (3 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 EPHX2 3380/4885NR1H4 2002/4885KDM1A 1736/4885
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 EPHX2 1844/4885NR1H4 508/4885KDM1A 4375/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 EPHX2 3380/4885NR1H4 2002/4885KDM1A 1736/4885

“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.