SCHEMBL2106685

SCHEMBL2106685

CC[C@@](C)(Oc1ccc(F)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.58
PPARA Q07869 14/20 0.55
PPARG P37231 10/20 0.55
PPARD Q03181 3/20 0.44
OPRK1 P41145 1/20 0.43
RIPK1 Q13546 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR4A2 P43354 1/20 0.41
FABP2 P12104 1/20 0.41
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL2106690 1.00 ADORA3 (0.58) ADORA3PPARAPPARGPPARDOPRK1
SCHEMBL11548490 0.86 ADORA3 (0.61) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL8935669 0.84 ADORA3 (0.60) ADORA3PPARAPPARGPPARDOPRK1
SCHEMBL5141872 0.84 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL8935672 0.84 ADORA3 (0.60) ADORA3PPARAPPARGPPARDOPRK1
SCHEMBL5369095 0.84 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL13846158 0.84 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1
SCHEMBL5367947 0.84 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL1960387 0.84 PPARG (0.62) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL27845063 0.83 PPARA (0.46) ADORA3PPARAPPARGPPARDMEN1

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-8158667-B2 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2012-04-17 US disclosed
WO-2010065024-A1 TOPICAL TREATMENT OF CATARACTS IN DOGS KADOR PETER F (US) 2010-06-10 WO disclosed
US-20090082415-A1 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2009-03-26 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-20090082415-A1 Topical treatment of cataracts in dogs AKR1A1, AKR1B1, AKR1C1 ADORA3 1735/4885PPARA 376/4885PPARG 59/4885

“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.