SCHEMBL14757646

SCHEMBL14757646

CCc1c(-c2ccc3c(c2)cc(CNC(C)c2cccnc2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
ADORA2B P29275 1/20 0.32
NTSR1 P30989 1/20 0.31
IDO1 P14902 1/20 0.31
RIPK1 Q13546 1/20 0.31
POLB P06746 1/20 0.31
SLC1A2 P43004 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
Hydrochloric Acid SCHEMBL14746198 0.99 CYP11B1 (0.32) CYP11B1CYP11B2ADRB1ADRB3ADORA2B
SCHEMBL14757661 0.92 KMT2A (0.34) ADORA2BPOLB
SCHEMBL14757659 0.92 KMT2A (0.34) ADORA2BPOLB
SCHEMBL27972941 0.92 KMT2A (0.34) ADORA2BPOLB
SCHEMBL14757633 0.91 HDAC1 (0.34)
Hydrochloric Acid SCHEMBL14744730 0.91 KMT2A (0.35) ADORA2BPOLB
Hydrochloric Acid SCHEMBL16428793 0.91 KMT2A (0.35) ADORA2BPOLB
Hydrochloric Acid SCHEMBL14744729 0.91 KMT2A (0.35) ADORA2BPOLB
Hydrochloric Acid SCHEMBL14744850 0.90 HDAC1 (0.34)
SCHEMBL14745003 0.86 ALDH1A1 (0.32) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP CYP11B1 4544/4885CYP11B2 4500/4885ADRB1 4694/4885

“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.