SCHEMBL5538723

SCHEMBL5538723

COC(=O)CNCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 3/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 3/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ANPEP P15144 3/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 2/20 0.35
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL20404149 0.86 GAA (0.33) LMNATSHRCA12CA14CA7
SCHEMBL20404163 0.82 GAA (0.46) LMNAGAAMGAMSIMGAM2
SCHEMBL2361759 0.81 TSHR (0.50) TET2LMNATSHRCA12CA14
SCHEMBL13995401 0.81 CA12 (0.49) LMNATSHRCA12CA14CA7
SCHEMBL7143521 0.80 MAOA (0.38) CA12CA14CA7GAAMEN1
SCHEMBL3604649 0.77 CA12 (0.44) TET2TSHRCA12CA14CA7
SCHEMBL288760 0.77 ALDH1A1 (0.40) LMNAANPEPRNPEPDNPEPSMN1; SMN2
SCHEMBL13815320 0.77 ALDH1A1 (0.40) LMNAGAAANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL15855934 0.77 TSHR (0.46) TET2LMNATSHRCA12CA14
Hydrochloric Acid SCHEMBL18577216 0.76 CA12 (0.43) TET2LMNATSHRCA12CA14

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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
WO-2017180535-A1 CHIRAL PEPTIDES CARNOT, LLC (US) 2017-10-19 WO disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 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 (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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 TET2 1407/4885LMNA 744/4885TSHR 4348/4885

“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.