SCHEMBL14089355

SCHEMBL14089355

CC(C)[C@H](C)[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RIPK1 Q13546 3/20 0.38
AVPR1A P37288 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDH1 O75874 2/20 0.35
IL6ST P40189 1/20 0.35
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 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
SCHEMBL3113303 1.00 ALDH1A1 (0.38) ALDH1A1GAAHTTRIPK1AVPR1A
SCHEMBL28627092 0.86 RIPK1 (0.39) ALDH1A1GAAHTTRIPK1AVPR1A
SCHEMBL21930008 0.86 RIPK1 (0.39) ALDH1A1GAAHTTRIPK1AVPR1A
SCHEMBL21930010 0.86 RIPK1 (0.39) ALDH1A1GAAHTTRIPK1AVPR1A
SCHEMBL20576759 0.82 RIPK1 (0.40) ALDH1A1GAAHTTRIPK1AVPR1A
SCHEMBL13752125 0.82 ALDH1A1 (0.38) ALDH1A1GAAHTTRIPK1AVPR1A
SCHEMBL20576760 0.82 RIPK1 (0.40) ALDH1A1GAAHTTRIPK1AVPR1A
SCHEMBL25294531 0.78 PPARA (0.41) IDH1IL6STPLA2G10PLA2G5
SCHEMBL25294532 0.78 PPARA (0.41) IDH1IL6STPLA2G10PLA2G5
SCHEMBL25257609 0.78 PPARA (0.41) IDH1IL6STPLA2G10PLA2G5

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-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 US disclosed
US-7381747-B2 Alpha 2 delta ligands for post-traumatic stress disorder WARNER-LAMBERT COMPANY LLC (US) 2008-06-03 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US disclosed
US-7164034-B2 Alpha2delta ligands for fibromyalgia and other disorders PFIZER INC. (US) 2007-01-16 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-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 ALDH1A1 1174/4885GAA 4075/4885HTT 1764/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 ALDH1A1 775/4885GAA 2743/4885HTT 2174/4885

“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.