SCHEMBL14745401

SCHEMBL14745401

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.35
P2RX7 Q99572 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
BTK Q06187 1/20 0.32
LMNA P02545 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
KMT2A Q03164 1/20 0.31
PTBP1 P26599 1/20 0.31

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
SCHEMBL14744955 0.86 P2RX7 (0.37) AADATP2RX7TSHRALDH1A1MAPK1
SCHEMBL14745399 0.80 LMNA (0.37) AADATTSHRALDH1A1MAPK1POLB
SCHEMBL14745537 0.80 TSHR (0.36) AADATP2RX7TSHRALDH1A1MAPK1
SCHEMBL14745992 0.76 L3MBTL1 (0.35) AADATALDH1A1MAPTLMNA
SCHEMBL14744696 0.74 L3MBTL1 (0.34) ALDH1A1MAPTLMNA
SCHEMBL16568448 0.72 MAPK8 (0.42) TSHRALDH1A1MAPK1POLBTDP1
SCHEMBL14744953 0.72 LMNA (0.39) AADATTSHRALDH1A1MAPK1POLB
SCHEMBL14745536 0.72 MAOA (0.40) AADATTSHRALDH1A1MAPK1POLB
SCHEMBL14745624 0.70 GABRG2 (0.40) ALDH1A1MAPTLMNA
SCHEMBL14745369 0.70 L3MBTL1 (0.39) ALDH1A1MAPK1POLBMAPTLMNA

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 AADAT 1779/4885P2RX7 3516/4885TSHR 4837/4885

“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.