SCHEMBL9893667

SCHEMBL9893667

CC(C)(O)C(C)(C)OB(O)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KIF11 P52732 1/20 0.39
KEAP1 Q14145 1/20 0.39
BRD4 O60885 3/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
KDM1A O60341 1/20 0.36
NR3C1 P04150 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
NR3C2 P08235 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1838200 0.83 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KIF11KEAP1NR3C2
SCHEMBL3524643 0.82 NLRP3 (0.32)
SCHEMBL17845950 0.81 PIK3CB (0.40) POLB
SCHEMBL9893797 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1015209 0.80 ALDH1A1 (0.45) POLBALDH1A1SMN1; SMN2
SCHEMBL9893568 0.77 HDAC3 (0.42) BRD4
SCHEMBL190203 0.77 CA2 (0.44)
SCHEMBL173028 0.77 ALDH1A1 (0.56) POLBALDH1A1SMN1; SMN2HSD17B1HSD17B2
SCHEMBL16223353 0.74 ACHE (0.35) ALDH1A1HPGD
SCHEMBL517851 0.74 ENPP2 (0.48) ALDH1A1HSD17B1HSD17B2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980126-A1 BENZO[H][1,6] NAPHTHYRIDIN-2(1H)-ONES AS BMX INHIBITORS, FOR USE AGAINST CANCER Instituto de Medicina Molecular João Lobo Antunes (PT) 2022-04-13 EP disclosed
WO-2020245430-A1 BENZO[H][1,6] NAPHTHYRIDIN-2(1H)-ONES AS BMX INHIBITORS, FOR USE AGAINST CANCER INSTITUTO DE MEDICINA MOLECULAR JOAO LOBO ANTUNES (PT) 2020-12-10 WO disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
EP-2900666-A1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Ignyta, Inc. (US) 2015-08-05 EP disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-04-24 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (4 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 POLB 4723/4885ALDH1A1 4010/4885SMN1; SMN2 3273/4885
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE POLB 2992/4885ALDH1A1 4649/4885SMN1; SMN2 4304/4885
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE POLB 2830/4885ALDH1A1 4626/4885SMN1; SMN2 4405/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 POLB 4723/4885ALDH1A1 4010/4885SMN1; SMN2 3273/4885

“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.