SCHEMBL14745550

SCHEMBL14745550

CN(Cc1ccccc1)C1[C@H]2CN(c3ccc4c(c3)CCCc3c-4[nH]c(=O)c(C(=O)O)c3O)C[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.33
PARP1 P09874 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
APLNR P35414 1/20 0.30
ACHE P22303 2/20 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
SCHEMBL14745551 1.00 RORC (0.33) RORCPARP1KDM4EALDH1A1NPSR1
Hydrochloric Acid SCHEMBL14745734 0.99 RORC (0.33) RORCPARP1KDM4EALDH1A1NPSR1
Hydrochloric Acid SCHEMBL14745736 0.99 RORC (0.33) RORCPARP1KDM4EALDH1A1NPSR1
Hydrochloric Acid SCHEMBL18628249 0.88 RORC (0.32) RORC
SCHEMBL14757061 0.82 SLC16A3 (0.32) NPSR1
SCHEMBL17593319 0.82 SLC16A3 (0.32) NPSR1
SCHEMBL17593161 0.81 NPSR1 (0.31) ALDH1A1NPSR1
SCHEMBL14757063 0.81 NPSR1 (0.31) ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL14745925 0.81 NPSR1 (0.30) NPSR1
Hydrochloric Acid SCHEMBL14745924 0.81 NPSR1 (0.30) NPSR1

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
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
WO-2016039938-A1 POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP RORC 4039/4885PARP1 2143/4885KDM4E 4305/4885

“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.