SCHEMBL4820356

SCHEMBL4820356

CC(C)(C)CC(=O)OCBr

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 2/20 0.39
LMNA P02545 2/20 0.35
MIF P14174 1/20 0.34
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 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
SCHEMBL15694063 0.81 DGKA (0.39) ALDH1A1LMNAMIFCYP2C19L3MBTL1
SCHEMBL12028701 0.79 LMNA (0.35) ALDH1A1LMNAMIFCYP2C19NPC1
SCHEMBL798062 0.79 GAA (0.55) ALDH1A1TRPA1LMNAMIFMGAM
SCHEMBL17694521 0.78 FAAH (0.41) ALDH1A1TRPA1LMNACYP2C19L3MBTL1
SCHEMBL11058319 0.77 LMNA (0.34) ALDH1A1LMNAMIFNPC1TP53
SCHEMBL697173 0.77 LMNA (0.37) ALDH1A1LMNAMIFNPC1TP53
SCHEMBL22356145 0.77 LMNA (0.36) ALDH1A1LMNAMIFNPC1TP53
SCHEMBL14108263 0.77 CHRM2 (0.37) ALDH1A1LMNACYP2C19L3MBTL1RAB9A
SCHEMBL662694 0.76
SCHEMBL5011564 0.75 RAB9A (0.44) ALDH1A1LMNARAB9ACHRM1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348351-B2 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-03-25 US disclosed
US-7101912-B2 Carbidopa prodrugs and derivatives, and compositions and uses thereof XENOPORT, INC. (US) 2006-09-05 US disclosed
EP-1569899-B1 SUBSTITUTED 3-ALKYL- AND 3-ARYLALKYL-1H-INDOL-1-YL-ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2006-06-28 EP disclosed
EP-1569899-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL i 1H /i -INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
US-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof XIANG JIA-NING (US) 2004-08-26 US disclosed
WO-2004052841-A1 CARBIDOPA PRODRUGS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
WO-2004052853-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL 1H-INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO disclosed
US-20040116488-A1 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1-yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2004-06-17 US disclosed
US-5624928-A Method of synthesizing an endonuclease inhibitor and analogs thereof MERCK & CO., INC. (US) 1997-04-29 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-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof PDE3A, ADORA2A, CDA ALDH1A1 606/4885TRPA1 2747/4885LMNA 4006/4885

“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.