SCHEMBL17796121

SCHEMBL17796121

C[C@@H](COCc1ccccc1)Oc1cccc([C@H](O)C[N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
CPA1 P15085 3/20 0.37
PTGS1 P23219 2/20 0.37
MME P08473 1/20 0.37
PTGS2 P35354 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TACR1 P25103 1/20 0.37
CNR1 P21554 1/20 0.37
MEN1 O00255 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
SCHEMBL17796078 1.00 ALOX5 (0.39) ALOX5KMT2ASMN1; SMN2MMP9MMP14
SCHEMBL17796119 1.00 ALOX5 (0.39) ALOX5KMT2ASMN1; SMN2MMP9MMP14
SCHEMBL17796076 0.83 KMT2A (0.43) ALOX5KMT2ASMN1; SMN2L3MBTL1TACR1
SCHEMBL17796117 0.83 KMT2A (0.43) ALOX5KMT2ASMN1; SMN2L3MBTL1TACR1
SCHEMBL17796074 0.83 KMT2A (0.43) ALOX5KMT2ASMN1; SMN2L3MBTL1TACR1
SCHEMBL17805702 0.83 LTB4R (0.39) ALOX5L3MBTL1
SCHEMBL17831481 0.83 LTB4R (0.39) ALOX5L3MBTL1
SCHEMBL17805528 0.83 LTB4R (0.39) ALOX5L3MBTL1
SCHEMBL17828391 0.81 L3MBTL1 (0.43) KMT2APTGS1L3MBTL1CNR1MEN1
SCHEMBL17828385 0.81 L3MBTL1 (0.43) KMT2APTGS1L3MBTL1CNR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029043-B1 TRICYCLIC BENZOXABOROLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF DONG A ST CO LTD (KR) 2018-08-29 EP disclosed
US-9676796-B2 Tricyclic benzoxaborole compound, preparation method and use thereof DONG-A ST CO., LTD. (KR) 2017-06-13 US disclosed
US-9676796-B2 Tricyclic benzoxaborole compound, preparation method and use thereof DONG-A ST CO., LTD. (KR) 2017-06-13 US disclosed
US-20160168167-A1 Tricyclic Benzoxaborole Compound, Preparation Method and Use Thereof DONG-A ST CO., LTD. (KR) 2016-06-16 US disclosed
EP-3029043-A1 TRICYCLIC BENZOXABOROLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Dong-A ST Co., Ltd. (KR) 2016-06-08 EP 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-20160168167-A1 Tricyclic Benzoxaborole Compound, Preparation Method and Use Thereof CYP2C19, CYP2C9, TBCB ALOX5 1180/4885KMT2A 3600/4885SMN1; SMN2 4227/4885

“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.