SCHEMBL637258

SCHEMBL637258

CCCC(NC(=O)OCOC(=O)c1cccs1)c1ccc(Cl)cc1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.45
TSHR P16473 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
HTR1E P28566 1/20 0.45
S1PR3 Q99500 1/20 0.45
RAB9A P51151 5/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL917310 0.86 LMNA (0.38) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL638041 0.78 UTS2R (0.53) MAPTLMNARAB9AHPGDNPC1
SCHEMBL2233478 0.74 UTS2R (0.51) SMN1; SMN2MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL917308 0.73 RAB9A (0.40) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL2230625 0.71 UTS2R (0.40) SMN1; SMN2LMNAHTT
SCHEMBL2231327 0.70 UTS2R (0.47) KDM4E
SCHEMBL637257 0.70 NPC1 (0.54) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL638108 0.70 LMNA (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL917102 0.69 CCKBR (0.49) MAPTHTTHPGDALDH1A1CTSK
SCHEMBL1884159 0.69 SMN1; SMN2 (0.37) SMN1; SMN2MAPTCYP1A2CYP2C9CYP2C19

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-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2017-07-06 US disclosed
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed
EP-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 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-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI SMN1; SMN2 594/4885MAPT 3022/4885TSHR 2219/4885

“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.