SCHEMBL1508332

SCHEMBL1508332

CCO[C@@](C)(CC(=O)O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DRD2 P14416 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1508408 0.81 PREP (0.43) PREPCA12CA1CA9SMN1; SMN2
SCHEMBL1508433 0.78 ESR1 (0.47) CA12CA1CA9SMN1; SMN2CYP2C19
SCHEMBL29406541 0.78 PREP (0.41) PREPCA12CA1CA9SMN1; SMN2
SCHEMBL5446526 0.73 ALDH1A1 (0.58) PREPCA12CA1CA9SMN1; SMN2
SCHEMBL2506528 0.73 SRD5A2 (0.46) PREPCA12CA1CA9POLB
SCHEMBL10495504 0.73 PREP (0.44) PREPCA12CA1CA9SMN1; SMN2
SCHEMBL8895342 0.72 TSHR (0.41) PREPCA12CA1CA9ALDH1A1
SCHEMBL8892401 0.72 PREP (0.43) PREPCA12CA1CA9SMN1; SMN2
SCHEMBL1508640 0.71 FFAR1 (0.54) SMN1; SMN2CYP2C19HIF1AMAPT
SCHEMBL17582871 0.71 CYP2C19 (0.51) CYP2C19HIF1AALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 PREP 3533/4885CA12 260/4885CA1 339/4885

“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.