SCHEMBL5012102

SCHEMBL5012102

O=C(O)C(F)(C(=O)O)c1ccccc1.[KH].[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
CES1 P23141 2/20 0.44
CYP2D6 P10635 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
KCNN4 O15554 3/20 0.41
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Water SCHEMBL9562304 0.95 CYP1A2 (0.50) CYP1A2PTPN1ALDH1A1TSHRCES1
SCHEMBL29287593 0.84 CYP1A2 (0.45) CYP1A2PTPN1ALDH1A1TSHRCES1
SCHEMBL2429483 0.78 CYP1A2 (0.48) CYP1A2PTPN1ALDH1A1TSHRCES1
SCHEMBL4245525 0.78 MAPT (0.56) CYP1A2PTPN1ALDH1A1TSHRCES1
SCHEMBL522914 0.77 CYP1A2 (0.52) CYP1A2PTPN1ALDH1A1TSHRCES1
SCHEMBL354556 0.77 CYP1A2 (0.52) CYP1A2PTPN1ALDH1A1TSHRCES1
SCHEMBL14076371 0.76 SRD5A2 (0.50) CYP1A2ALDH1A1TSHRMAPTKMT2A
Potassium Ion SCHEMBL5012104 0.76 PTPN1 (0.45) CYP1A2PTPN1ALDH1A1TSHRCES1
SCHEMBL3669362 0.75 CYP1A2 (0.50) CYP1A2PTPN1ALDH1A1TSHRCES1
SCHEMBL3629687 0.75 CYP1A2 (0.50) CYP1A2PTPN1ALDH1A1TSHRCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163699-A Methods for synthesis of dicarbamate compounds and intermediates in the formation thereof MEDPOINTE HEALTHCARE INC (US) 2008-04-16 CN disclosed
EP-1888570-A2 METHODS FOR SYNTHESIS OF DICARBAMATE COMPOUNDS AND INTERMEDIATES IN THE FORMATION THEREOF MedPointe Healthcare Inc. (US) 2008-02-20 EP disclosed
WO-2006116007-A2 METHODS FOR SYNTHESIS OF DICARBAMATE COMPOUNDS AND INTERMEDIATES IN THE FORMATION THEREOF MEDPOINTE HEALTHCARE INC. (US) 2006-11-02 WO disclosed
US-20060241298-A1 Methods for synthesis of dicarbamate compounds and intermediates in the formation thereof MEDPOINTE HEALTHCARE INC. 2006-10-26 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-20060241298-A1 Methods for synthesis of dicarbamate compounds and intermediates in the formation thereof CPS1, ME1, TALDO1 CYP1A2 2088/4885PTPN1 4487/4885ALDH1A1 460/4885

“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.