SCHEMBL5520474

SCHEMBL5520474

CC(C)c1cc(CC(=O)O)on1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
EPHX2 P34913 2/20 0.47
VHL P40337 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
IGF1R P08069 2/20 0.39
GRM5 P41594 1/20 0.38
MAPT P10636 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
MAPK14 Q16539 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL2306096 0.77 LMNA (0.45) LMNAALDH1A1EPHX2VHLSMN1; SMN2
SCHEMBL5297276 0.76 VHL (0.42) LMNAALDH1A1VHLSMN1; SMN2RAB9A
SCHEMBL6251 0.76 VHL (0.60) ALDH1A1EPHX2VHLSMN1; SMN2MAPT
SCHEMBL1706000 0.76 SMN1; SMN2 (0.40) ALDH1A1VHLSMN1; SMN2RAB9ANPC1
SCHEMBL5281369 0.76 EPHX2 (0.40) LMNAALDH1A1EPHX2VHLSMN1; SMN2
SCHEMBL92807 0.75 EPHX2 (0.42) LMNAALDH1A1EPHX2SMN1; SMN2ATM
SCHEMBL4853139 0.75 VHL (0.33) EPHX2VHLMAPT
Hydrochloric Acid SCHEMBL1375734 0.74 VHL (0.58) ALDH1A1EPHX2VHLSMN1; SMN2MAPT
SCHEMBL11391155 0.74 EPHX2 (0.43) LMNAALDH1A1EPHX2SMN1; SMN2ATM
SCHEMBL7423467 0.73 VHL (0.38) LMNAALDH1A1VHLSMN1; SMN2MAPT

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-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US 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
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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 LMNA 3079/4885ALDH1A1 1493/4885EPHX2 1646/4885

“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.