SCHEMBL10006019

SCHEMBL10006019

C#Cc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ4 P56696 3/20 0.47
▸ KCNQ5 Q9NR82 3/20 0.47
▸ HPGD P15428 1/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ GABRA1 P14867 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ CYP17A1 P05093 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL10281196 0.94 KCNQ4 (0.50) KCNQ4KCNQ5HPGDCYP1A2CYP2C9
SCHEMBL18493542 0.84 HPGD (0.39) HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL4300793 0.82 KCNQ4 (0.45) KCNQ4KCNQ5PTPN11GABRA1GABRG2
SCHEMBL14355613 0.82 PDK1 (0.45) KCNQ4KCNQ5PTPN11GABRA1GABRG2
SCHEMBL2134811 0.82 AAK1 (0.44) KCNQ4KCNQ5PTPN11GABRA1GABRG2
SCHEMBL30931981 0.82 CYP17A1 (0.49) KCNQ4KCNQ5PTPN11GABRA1GABRG2
SCHEMBL10006061 0.82 GABRA5 (0.43) KCNQ4KCNQ5HPGDCYP1A2CYP2C9
SCHEMBL21338408 0.79 KCNQ4 (0.40) KCNQ4KCNQ5BRD9PTPN11GABRA1
SCHEMBL10006006 0.79 AAK1 (0.46) KCNQ4KCNQ5HPGDCYP1A2CYP2C9
SCHEMBL5562552 0.78 KMT2A (0.43) KCNQ4KCNQ5CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 — — US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 — — 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-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KCNQ4 4679/4885KCNQ5 4698/4885HPGD 3586/4885

“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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