SCHEMBL14744955

SCHEMBL14744955

CCc1cc(C(=O)OC)c(=O)n(Cc2ccc(OC)cc2OC)c1-c1ccc2cc3n(c2c1)C(O)CC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
AADAT Q8N5Z0 1/20 0.36
BTK Q06187 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL14745401 0.86 AADAT (0.35) P2RX7ALDH1A1POLBTDP1TSHR
SCHEMBL14745537 0.85 TSHR (0.36) P2RX7ALDH1A1POLBTDP1TSHR
SCHEMBL14744953 0.79 LMNA (0.39) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL16568448 0.77 MAPK8 (0.42) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL14745536 0.77 MAOA (0.40) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL14745624 0.75 GABRG2 (0.40) ALDH1A1MAPT
SCHEMBL14745369 0.75 L3MBTL1 (0.39) ALDH1A1POLBMAPK1KMT2AMAPT
SCHEMBL14745593 0.74 GABRG2 (0.39) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL14745444 0.73 LMNA (0.40) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL14745399 0.73 LMNA (0.37) ALDH1A1POLBTDP1TSHRMAPK1

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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP 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 P2RX7 3516/4885ALDH1A1 3792/4885POLB 84/4885

“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.