SCHEMBL16428952

SCHEMBL16428952

CCc1c(-c2ccc3c(c2)cc(CN2CCC(N)C2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 3/20 0.38
PRKACG P22612 3/20 0.38
PRKACB P22694 3/20 0.38
BAZ2A Q9UIF9 1/20 0.33
DHODH Q02127 1/20 0.32
CDC7 O00311 2/20 0.31
PIM1 P11309 2/20 0.31
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
CSNK2A1 P68400 2/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
MCHR1 Q99705 1/20 0.31
FAAH O00519 1/20 0.31
MAOA P21397 1/20 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
SCHEMBL14757656 1.00 PRKACA (0.38) PRKACAPRKACGPRKACBBAZ2ADHODH
Hydrochloric Acid SCHEMBL17597383 0.99 PRKACA (0.37) PRKACAPRKACGPRKACBBAZ2ADHODH
SCHEMBL16428839 0.95 DDR1 (0.34) PRKACAPRKACGPRKACBMCHR1
SCHEMBL16428731 0.95 DDR1 (0.34) PRKACAPRKACGPRKACBMCHR1
SCHEMBL14744982 0.95 BAZ2A (0.37) PRKACAPRKACGPRKACBBAZ2AMCHR1
Hydrochloric Acid SCHEMBL17597199 0.94 DPP4 (0.34) PRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL17597198 0.94 BAZ2A (0.36) PRKACAPRKACGPRKACBBAZ2AMCHR1
SCHEMBL14740825 0.93 FAAH (0.33) FAAH
SCHEMBL14745342 0.93 DHODH (0.38) DHODHMCHR1FAAHMAOA
SCHEMBL14745341 0.93 DHODH (0.38) DHODHMCHR1FAAHMAOA

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 2 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
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed

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 PRKACA 1844/4885PRKACG 1705/4885PRKACB 1550/4885

“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.