SCHEMBL14745828

SCHEMBL14745828

CCc1c(-c2ccc3c(c2)cc(CN2C[C@H]4C[C@H](N(C)Cc5ccccc5)C[C@H]4C2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
OPRM1 P35372 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
FAAH O00519 1/20 0.31
AKT1 P31749 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
SCHEMBL14745830 1.00 JAK2 (0.34) JAK2JAK1OPRM1SIGMAR1FAAH
SCHEMBL14745829 1.00 JAK2 (0.34) JAK2JAK1OPRM1SIGMAR1FAAH
Hydrochloric Acid SCHEMBL17597223 0.99 JAK2 (0.34) JAK2JAK1OPRM1SIGMAR1FAAH
Hydrochloric Acid SCHEMBL17597224 0.99 JAK2 (0.34) JAK2JAK1OPRM1SIGMAR1FAAH
Hydrochloric Acid SCHEMBL17597225 0.99 JAK2 (0.34) JAK2JAK1OPRM1SIGMAR1FAAH
SCHEMBL14744844 0.94 OPRM1 (0.34) OPRM1SIGMAR1FAAHAKT1
SCHEMBL14744927 0.94 FAAH (0.31) FAAH
SCHEMBL14744930 0.94 FAAH (0.31) FAAH
SCHEMBL14744929 0.94 FAAH (0.31) FAAH
Hydrochloric Acid SCHEMBL17597425 0.93 FAAH (0.31) FAAH

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 6 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 claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO 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 JAK2 4329/4885JAK1 4601/4885OPRM1 1450/4885

“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.