SCHEMBL3332632

SCHEMBL3332632

CC(CC(=O)O)C1COC(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
CA2 P00918 2/20 0.32
TBXAS1 P24557 4/20 0.32
HCRTR2 O43614 3/20 0.32
HCRTR1 O43613 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPBAR1 Q8TDU6 3/20 0.31

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
SCHEMBL3332627 1.00 TBXA2R (0.33) TBXA2RTMEM97SIGMAR1CA2TBXAS1
SCHEMBL3332959 1.00 TBXA2R (0.33) TBXA2RTMEM97SIGMAR1CA2TBXAS1
SCHEMBL3465825 0.83 UGT2B7 (0.34) TBXA2RTMEM97SIGMAR1CA2TBXAS1
SCHEMBL7364468 0.81 CA2 (0.34) TBXA2RTMEM97SIGMAR1CA2TBXAS1
SCHEMBL31274491 0.81 TSHR (0.41) TBXA2RTMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL13299700 0.80 CTDSP1 (0.36) CA2ALDH1A1SMN1; SMN2
SCHEMBL14107378 0.78 CA2 (0.32) CA2
SCHEMBL12540514 0.78 CA2 (0.32) CA2
SCHEMBL12540047 0.78 CA2 (0.32) CA2
SCHEMBL5338406 0.77 HCRTR2 (0.33) TMEM97SIGMAR1CA2HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889660-B2 Methods for treating obesity or an obesity related condition CASE WESTERN RESERVE UNIVERSITY (US) 2014-11-18 US disclosed
US-20130072555-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CASE WESTERN RESERVE UNIVERSITY (US) 2013-03-21 US disclosed
US-8338394-B2 Methods for treating metabolic diseases CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-25 US disclosed
US-20100135977-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 US disclosed
WO-2008063768-A2 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CASE WESTERN RESERVE UNIVERSITY (US) 2008-05-29 WO 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-20130072555-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES GPR119, CYP27A1, HSD17B13 TBXA2R 383/4885TMEM97 1971/4885SIGMAR1 3077/4885
US-20100135977-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CYP27A1, HSD17B13, GPR119 TBXA2R 577/4885TMEM97 4358/4885SIGMAR1 4472/4885

“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.