SCHEMBL13636106

SCHEMBL13636106

Cc1ccc(O)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
NQO2 P16083 1/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MIF P14174 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
NLRP3 Q96P20 1/20 0.42
ALDH1A1 P00352 2/20 0.42
BRD9 Q9H8M2 1/20 0.41
LCK P06239 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 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
SCHEMBL31470226 1.00 CYP3A4 (0.45) CYP3A4TSHRRECQLNQO2LMNA
SCHEMBL2770751 0.87 SMN1; SMN2 (0.47) NQO2MIFCA12CA1CA9
SCHEMBL29958958 0.87 SMN1; SMN2 (0.47) NQO2MIFCA12CA1CA9
SCHEMBL29618957 0.87 HPGD (0.47) NQO2LMNAMIFCYP1A2POLB
SCHEMBL24362149 0.87 HPGD (0.47) NQO2LMNAMIFCYP1A2POLB
SCHEMBL4568018 0.87 NLRP3 (0.55) CYP3A4TSHRLMNANPSR1CYP1A2
SCHEMBL20865561 0.84 ALDH1A1 (0.56) CYP3A4LMNANPSR1CA12CA1
SCHEMBL13636114 0.83 CYP17A1 (0.44) NQO2LMNANPSR1MIFPOLB
SCHEMBL20057682 0.83 AAK1 (0.47) NQO2LMNAMIFPOLBRXFP1
SCHEMBL18511360 0.83 LMNA (0.43) CYP3A4TSHRLMNANPSR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559504-B2 Benzotriazole derivative UBE CORPORATION (JP) 2026-02-24 US disclosed
EP-3978073-B1 1H-BENZO[D][1,2,3]TRIAZOLE DERIVATIVES AS KEAP1 INHIBITORS FOR THE TREATMENT OF RENAL DISEASES UBE CORP (JP) 2025-10-15 EP disclosed
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2022-08-18 US disclosed
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2022-08-18 US disclosed
EP-3978073-A1 BENZOTRIAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2022-04-06 EP disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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 (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-12559504-B2 Benzotriazole derivative KEAP1, NFE2L2, NCOR1 CYP3A4 259/4885TSHR 2245/4885RECQL 3886/4885
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE KEAP1, NFE2L2, BACH1 CYP3A4 744/4885TSHR 4053/4885RECQL 3397/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX CYP3A4 638/4885TSHR 716/4885RECQL 4238/4885

“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.