SCHEMBL3420449

SCHEMBL3420449

CC(Cl)(Cc1ccccc1)OC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
FDPS P14324 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MMP8 P22894 4/20 0.37
TRPA1 O75762 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSK P43235 1/20 0.35
TSHR P16473 1/20 0.35
ADH1B P00325 1/20 0.34

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
SCHEMBL95877 0.81 SLC6A2 (0.47) SLC6A2TAAR1LMNACYP2D6PPARG
Benzylamine SCHEMBL27587164 0.72 LOXL2 (0.54) SLC6A2TAAR1CYP2D6CYP2C9CYP2C19
SCHEMBL3528108 0.71 SLC6A2 (0.58) SLC6A2TAAR1LMNACYP2D6PPARG
SCHEMBL28101753 0.70 SLC6A2 (0.44) SLC6A2TAAR1LMNACYP2D6PPARG
SCHEMBL11608630 0.70 SMN1; SMN2 (0.48) PPARGPPARAALDH1A1CYP2C9CYP2C19
SCHEMBL28416740 0.70 TAAR1 (0.52) SLC6A2TAAR1LMNACYP2D6PPARG
SCHEMBL96457 0.70 TAAR1 (0.52) SLC6A2TAAR1LMNACYP2D6PPARG
SCHEMBL2398268 0.70 SMN1; SMN2 (0.42) SLC6A2TAAR1LMNACYP2D6ALDH1A1
SCHEMBL8398942 0.69 SLC6A2 (0.56) SLC6A2TAAR1LMNACYP2D6PPARG
Ammonia Solution, Strong SCHEMBL28028790 0.69 SLC6A2 (0.56) SLC6A2TAAR1LMNACYP2D6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
EP-1611119-A1 PI-3 KINASE INHIBITOR PRODRUGS Semafore Pharmaceuticals, Inc. (US) 2006-01-04 EP disclosed
US-6949537-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2005-09-27 US disclosed
US-20050203173-A1 PI-3 kinase inhibitor prodrugs SIGNALRX PHARMACEUTICALS, INC. 2005-09-15 US disclosed
US-20040242631-A1 PI-3 kinase inhibitor prodrugs SIGNALRX PHARMACEUTICALS, INC. 2004-12-02 US disclosed
WO-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 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 (3 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-20050203173-A1 PI-3 kinase inhibitor prodrugs PI4KA, PI4KB, PI4K2B SLC6A2 1765/4885TAAR1 2560/4885LMNA 3669/4885
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B SLC6A2 1765/4885TAAR1 2560/4885LMNA 3669/4885
US-20040242631-A1 PI-3 kinase inhibitor prodrugs PI4KA, PI4KB, PI4K2B SLC6A2 1765/4885TAAR1 2560/4885LMNA 3669/4885

“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.