SCHEMBL17341958

SCHEMBL17341958

CC(=O)CCC(=O)c1ccnc2cccc(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 5/20 0.43
▸ WNT3A P56704 5/20 0.43
▸ PREP P48147 1/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ PIK3R2 O00459 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ KDM5B Q9UGL1 2/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL19821105 0.93 PREP (0.41) CTNNB1WNT3APREPPARP1ELANE
SCHEMBL17341978 0.92 PREP (0.40) CTNNB1WNT3APREPPARP1ELANE
SCHEMBL17345614 0.89 KMT2A (0.44) CTNNB1WNT3APREPPARP1ELANE
SCHEMBL17341971 0.84 PREP (0.41) CTNNB1WNT3APREPPARP1ELANE
SCHEMBL17341983 0.83 PREP (0.40) CTNNB1WNT3APREPPARP1ELANE
SCHEMBL21257069 0.79 KDM5B (0.50) PREPPARP1ELANEHSD17B10MAPT
SCHEMBL17341961 0.77 CTNNB1 (0.45) CTNNB1WNT3AHSD17B10MAPTKDM4E
SCHEMBL17341977 0.77 FAAH (0.37) ELANEMAPTALDH1A1
SCHEMBL17341970 0.74 FAAH (0.37) ELANEMAPTKDM5BKDM5AALDH1A1
SCHEMBL17341959 0.71 KDM4E (0.40) CTNNB1WNT3AHSD17B10KDM4EHPGD

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-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-01 — — US disclosed
US-9790186-B2 Composition and method for prevention, mitigation or treatment of an enteropathogenic bacterial infection TRUSTEES OF DARTMOUTH COLLEGE (US) 2017-10-17 — — US disclosed
US-20150361045-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-12-17 — — 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-20150361045-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP CTNNB1 2003/4885WNT3A 1157/4885PREP 642/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP CTNNB1 2003/4885WNT3A 1157/4885PREP 642/4885

“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.

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