SCHEMBL14979025

SCHEMBL14979025

CC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
FAP Q12884 4/20 0.44
PREP P48147 2/20 0.44
DPP4 P27487 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ACE P12821 1/20 0.43
KLK5 Q9Y337 1/20 0.41
NPC1 O15118 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
EPHX1 P07099 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8352289 1.00 MEN1 (0.49) MEN1ALDH1A1TSHRKMT2AFAP
SCHEMBL21101551 0.90 MEN1 (0.47) MEN1ALDH1A1TSHRKMT2AFAP
SCHEMBL1000948 0.89 ACE (0.53) MEN1ALDH1A1TSHRKMT2AFAP
SCHEMBL1925210 0.89 ACE (0.53) MEN1ALDH1A1TSHRKMT2AFAP
SCHEMBL6468703 0.88 KLK5 (0.53) MEN1ALDH1A1TSHRKMT2AFAP
SCHEMBL3763934 0.88 MEN1 (0.48) MEN1ALDH1A1TSHRKMT2AFAP
SCHEMBL2744394 0.88 MEN1 (0.48) MEN1ALDH1A1TSHRKMT2AFAP
SCHEMBL14235217 0.88 KLK5 (0.53) MEN1ALDH1A1TSHRKMT2AFAP
Hydrochloric Acid SCHEMBL10976646 0.88 ACE (0.52) MEN1ALDH1A1TSHRKMT2AFAP
SCHEMBL13071552 0.87 ALDH1A1 (0.47) MEN1ALDH1A1TSHRKMT2AFAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8450529-B2 Branched polyamines and formulations thereof for use in medical devices COVIDIEN LP (US) 2013-05-28 US 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 (2 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-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 MEN1 4112/4885ALDH1A1 2541/4885TSHR 4423/4885
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 MEN1 4112/4885ALDH1A1 2541/4885TSHR 4423/4885

“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.