SCHEMBL5847804

SCHEMBL5847804

O=C(Cl)Sc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TERT O14746 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL27541249 0.78 CES2 (0.44) CES2CES1TERTCA1CA2
SCHEMBL1462546 0.78 MAPT (0.56) CES2CES1TERTCA1CA2
SCHEMBL28100533 0.77 TERT (0.36) CES2CES1TERTCA1CA2
SCHEMBL7703409 0.76 MAPT (0.48) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL10783553 0.76 SMN1; SMN2 (0.45) CES2CES1TERTCA1CA2
SCHEMBL15694511 0.76 CES2 (0.42) CES2CES1TERTCA1CA2
SCHEMBL7165481 0.76 MAPT (0.43) CES2CES1TERTMEN1KMT2A
SCHEMBL11692641 0.76 CES2 (0.48) CES2CES1CYP1A2PTPN1
SCHEMBL12480841 0.76 TERT (0.38) CES2CES1TERTCA1CA2
SCHEMBL979444 0.75 FFAR1 (0.44) CES2CES1CYP1A2CYP2C9ALDH1A1

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
US-7138538-B2 Process for the separation of enantiomers and enantiopure reagent SOLVAY (SOCIETE ANONYME) (BE) 2006-11-21 US disclosed
US-20040210060-A1 Process for the separation of enantiomers and enantiopure reagent SOLVAY S.A. (BE) 2004-10-21 US disclosed
US-6743373-B1 REAGENT BASED ON ENANTIOPURE AMINO ACID IN WHICH AMINO GROUP CARRIES ACTIVATING GROUP TO FORM ACTIVE PRECURSOR OF ISOCYANATE GROUP AND CARBOXYL GROUP IS SUBSTITUTED; SEPARATION OF ENANTIOMERS HAVING FREE FUNCTIONAL GROUP SOLVAY (SOCIETE ANONYME) (BE) 2004-06-01 US disclosed
US-4003909-A [(1,2,4-Oxadiazol-3-yl)phenyl]carbamic or thiocarbamic acid esters E. R. SQUIBB & SONS, INC. (US) 1977-01-18 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-20040210060-A1 Process for the separation of enantiomers and enantiopure reagent DNPEP, DAO, ANPEP CES2 608/4885CES1 1087/4885TERT 3593/4885

“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.