SCHEMBL14758249

SCHEMBL14758249

CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)CCN2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
WDR5 P61964 1/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL14745405 0.94 KCNH2 (0.39) NOTUMBRD4CREBBPGRIA1GRIA2
SCHEMBL14740926 0.88 NOTUM (0.46) NOTUMBRD4CREBBPKDM4EGAA
SCHEMBL16440969 0.83 NOTUM (0.44) NOTUMGAAWDR5ALDH1A1CYP11B1
SCHEMBL14745042 0.82 ALDH1A1 (0.41) NOTUMBRD4KDM4EGLAGAA
SCHEMBL16428749 0.81 NOTUM (0.39) NOTUMBRD4CREBBPGAAWDR5
SCHEMBL14741255 0.76 NOTUM (0.43) NOTUMCREBBPKDM4EGAAALDH1A1
SCHEMBL14745164 0.75 KCNH2 (0.37) NOTUMCREBBPKDM4EGAAWDR5
SCHEMBL14741070 0.75 PDE3B (0.50) KDM4EGLAGAATP53ALDH1A1
SCHEMBL14746079 0.75 PDE3B (0.40) KDM4EGLAGAAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL17597664 0.75 NOTUM (0.42) NOTUMCREBBPKDM4EGAAALDH1A1

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
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-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 NOTUM 2404/4885BRD4 2439/4885CREBBP 2030/4885

“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.