SCHEMBL17212397

SCHEMBL17212397

CC(=O)c1ccc(B(O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KCNJ1 P48048 1/20 0.42
P4HTM Q9NXG6 3/20 0.39
P4HA1 P13674 1/20 0.39
MIF P14174 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CA2 P00918 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ENPP2 Q13822 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL29948107 0.83 P4HTM (0.57) ALDH1A1P4HTMP4HA1MIFKDM4E
SCHEMBL3719519 0.83 P4HTM (0.57) ALDH1A1P4HTMP4HA1MIFKDM4E
Methane SCHEMBL364091 0.82 P4HTM (0.55) ALDH1A1P4HTMP4HA1MIFKDM4E
SCHEMBL10195691 0.80 KMT2A (0.50) ALDH1A1P4HTMP4HA1MIFKDM4E
SCHEMBL29951238 0.79 PIK3CD (0.41) ALDH1A1P4HTMP4HA1MIFKDM4E
SCHEMBL29586464 0.79 PIP5K1C (0.41) ALDH1A1P4HTMKDM4EMAPK1L3MBTL1
SCHEMBL29952262 0.79 MAPK1 (0.61) ALDH1A1P4HTMP4HA1MIFKDM4E
SCHEMBL15465986 0.79 PIP5K1C (0.41) ALDH1A1P4HTMKDM4EMAPK1L3MBTL1
SCHEMBL364090 0.79 MAPK1 (0.61) ALDH1A1P4HTMP4HA1MIFKDM4E
SCHEMBL836314 0.79 PIK3CD (0.41) ALDH1A1P4HTMP4HA1MIFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 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 (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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ALDH1A1 1143/4885KCNJ1 1484/4885P4HTM 643/4885
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885KCNJ1 4779/4885P4HTM 3015/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ALDH1A1 1143/4885KCNJ1 1484/4885P4HTM 643/4885

“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.