SCHEMBL16440969

SCHEMBL16440969

CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)OCCN2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
HDAC4 P56524 2/20 0.41
METAP2 P50579 1/20 0.41
POLQ O75417 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
AR P10275 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
WDR5 P61964 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL14744715 0.89 NOTUM (0.49) NOTUMHDAC4METAP2POLQCYP11B1
SCHEMBL14758249 0.83 NOTUM (0.41) NOTUMCYP11B1CYP11B2WDR5ALDH1A1
SCHEMBL16428558 0.82 NOTUM (0.42) NOTUMHDAC4METAP2POLQCYP11B1
SCHEMBL14745405 0.81 KCNH2 (0.39) NOTUMALDH1A1HTTMAPTGAA
SCHEMBL14757816 0.80 NOTUM (0.47) NOTUMHDAC4METAP2CYP11B1CYP11B2
SCHEMBL14745370 0.74 NOTUM (0.44) NOTUMHDAC4METAP2POLQCYP11B1
SCHEMBL14741255 0.73 NOTUM (0.43) NOTUMALDH1A1HTTMAPTGAA
SCHEMBL14243500 0.73 KDM4E (0.39) ARALDH1A1MAPTGAAALOX15
SCHEMBL14741070 0.73 PDE3B (0.50) ALDH1A1MAPTGAA
SCHEMBL15878097 0.73 KDM4E (0.46) ARALDH1A1MAPTGAARXFP1

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 4 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

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 2404/4885HDAC4 1910/4885METAP2 1493/4885

“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.