SCHEMBL18656011

SCHEMBL18656011

COc1ccc(CNC2C3CCC2CN(C(=O)OC(C)(C)C)C3)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
TSHR P16473 1/20 0.48
STS P08842 1/20 0.48
MAPT P10636 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
TACR1 P25103 4/20 0.45
CHRM1 P11229 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PDE4B Q07343 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
APLNR P35414 1/20 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
SCHEMBL28607570 0.84 TSHR (0.55) EPHX2TSHRSTSMAPTKMT2A
SCHEMBL28611807 0.84 ALDH1A1 (0.54) EPHX2TSHRSTSMAPTKMT2A
SCHEMBL27415157 0.84 ALDH1A1 (0.54) EPHX2TSHRSTSMAPTKMT2A
SCHEMBL4732973 0.83 EPHX2 (0.61) EPHX2TSHRSTSMAPTKMT2A
SCHEMBL21577641 0.78 EPHX2 (0.57) EPHX2STSMAPTKMT2AMEN1
SCHEMBL27415228 0.77 TSHR (0.55) EPHX2TSHRSTSMAPTKMT2A
SCHEMBL29253172 0.76 STS (0.58) EPHX2STSMAPTKMT2AMEN1
SCHEMBL27415267 0.76 EPHX2 (0.46) EPHX2TSHRSTSMAPTKMT2A
SCHEMBL19331972 0.76 EPHX2 (0.48) EPHX2TSHRSTSMAPTKMT2A
SCHEMBL31580099 0.76 CD274 (0.57) EPHX2STSMAPTALDH1A1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167283-B2 β-lactamase inhibitors and uses thereof SUANZHU PHARMA CO., LTD. (CN) 2019-01-01 US disclosed
US-10167283-B2 β-lactamase inhibitors and uses thereof SUANZHU PHARMA CO., LTD. (CN) 2019-01-01 US disclosed
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-05-31 US disclosed
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-05-31 US disclosed
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-05-31 US disclosed
EP-3281942-A1 B-LACTAMASE INHIBITOR AND APPLICATION THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-02-14 EP disclosed
EP-3281942-A1 B-LACTAMASE INHIBITOR AND APPLICATION THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-02-14 EP disclosed
WO-2017167218-A1 ANTIBACTERIAL COMPOSITION AND USE THEREOF 山东轩竹医药科技有限公司 2017-10-05 WO disclosed
WO-2017045510-A1 Β-LACTAMASE INHIBITOR AND APPLICATION THEREOF 山东轩竹医药科技有限公司 2017-03-23 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 (2 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-10167283-B2 β-lactamase inhibitors and uses thereof MGAM, LCT, ALPI EPHX2 916/4885TSHR 3985/4885STS 21/4885
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF MGAM, LCT, ALPI EPHX2 881/4885TSHR 4028/4885STS 24/4885

“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.