SCHEMBL18675818

SCHEMBL18675818

COc1ccc(Br)c(OC(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.39
▸ MTNR1B P49286 3/20 0.39
▸ ELANE P08246 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL18857950 0.91 ELANE (0.41) MTNR1AMTNR1BELANEALDH1A1KDM4E
SCHEMBL31006018 0.91 ELANE (0.41) MTNR1AMTNR1BELANEALDH1A1KDM4E
SCHEMBL21819596 0.88 ALDH1A1 (0.41) MTNR1AMTNR1BALDH1A1KDM4EPOLB
SCHEMBL18857968 0.85 KMT2A (0.37) ELANEALDH1A1HSD17B10MEN1KMT2A
SCHEMBL17410563 0.84 ESR1 (0.40) ALDH1A1KDM4EMEN1CYP2D6CYP2C19
SCHEMBL18857953 0.84 ELANE (0.40) ELANEMEN1KMT2AHTTGRM6
SCHEMBL31617775 0.84 ELANE (0.40) ELANEALDH1A1KDM4EMEN1CYP2C19
SCHEMBL23414048 0.83 ELANE (0.39) ELANEGRM6CA12CA1CA2
SCHEMBL18857933 0.83 ELANE (0.39) ELANEALDH1A1KDM4EPOLBHSD17B10
SCHEMBL31617752 0.82 ELANE (0.36) MTNR1AMTNR1BELANEALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963467-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2018-05-08 — — US disclosed
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-20170088561-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2017-03-30 — — 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 (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-20170088561-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 MTNR1A 2014/4885MTNR1B 1181/4885ELANE 108/4885
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 MTNR1A 2014/4885MTNR1B 1181/4885ELANE 108/4885

“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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