SCHEMBL3176121

SCHEMBL3176121

O=C(O)c1c(F)c(F)c(Cl)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
HTT P42858 1/20 0.37
DPP4 P27487 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP2 P50579 1/20 0.30
HCAR2 Q8TDS4 2/20 0.30

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
SCHEMBL8679252 0.90 CES2 (0.50) CES2CES1HTTDPP4MEN1
SCHEMBL16122048 0.90 CES2 (0.54) CES2CES1HTTDPP4SMN1; SMN2
SCHEMBL10563656 0.87 CES2 (0.46) CES2CES1HTTDPP4MEN1
SCHEMBL2916433 0.87 CES2 (0.52) CES2CES1HTTDPP4MEN1
SCHEMBL8755031 0.87 CES2 (0.46) CES2CES1HTTDPP4SMN1; SMN2
SCHEMBL26364830 0.84 CES2 (0.48) CES2CES1HTTDPP4MEN1
SCHEMBL542808 0.82 CES2 (0.46) CES2CES1HTTDPP4MEN1
SCHEMBL8726566 0.82 CES2 (0.46) CES2CES1HTTDPP4MEN1
SCHEMBL11701918 0.82 CES2 (0.46) CES2CES1HTTDPP4SMN1; SMN2
SCHEMBL8727075 0.82 CES2 (0.41) CES2CES1HTTDPP4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881837-B2 Generation of s-adenosyl-L-methionine; generate s-adenosyl-l-methionine, methylate, recover s-adenosyl-l-methionine ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2005-04-19 US claimed
WO-2003002588-A1 CHEMICAL SYNTHESIS OF S-ADENOSYL-L-METHIONINE WITH ENRICHMENT OF (S,S)-ISOMER ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-01-09 WO claimed
US-20020188116-A1 Chemical synthesis of S-adenosyl-L-methionine with enrichment of ( S,S)-isomer ORCHID CHEMICALS & PHARMACEUTICALS LIMITED, INDIA (IN) 2002-12-12 US claimed
US-7667034-B2 Chemical synthesis of S-adenosyl-L-methionine with enrichment of (S,S)-isomer ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-02-23 US disclosed
US-20080103303-A1 Chemical Synthesis Of S-Adenosyl-L-Methionine With Enrichment Of (S,S)-Isomer ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-05-01 US disclosed
EP-1812454-A2 CHEMICAL SYNTHESIS OF S-ADENOSYL-L-METHIONINE WITH ENRICHMENT OF (S,S)-ISOMER Orchid Chemicals and Pharmaceuticals Ltd (IN) 2007-08-01 EP disclosed
WO-2006000883-A2 CHEMICAL SYNTHESIS OF S-ADENOSYL-L-METHIONINE WITH ENRICHMENT OF (S,S)-ISOMER ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-05 WO disclosed
US-6881837-B2 Generation of s-adenosyl-L-methionine; generate s-adenosyl-l-methionine, methylate, recover s-adenosyl-l-methionine ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2005-04-19 US disclosed
WO-2003002588-A1 CHEMICAL SYNTHESIS OF S-ADENOSYL-L-METHIONINE WITH ENRICHMENT OF (S,S)-ISOMER ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-01-09 WO disclosed
US-20020188116-A1 Chemical synthesis of S-adenosyl-L-methionine with enrichment of ( S,S)-isomer ORCHID CHEMICALS & PHARMACEUTICALS LIMITED, INDIA (IN) 2002-12-12 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-20080103303-A1 Chemical Synthesis Of S-Adenosyl-L-Methionine With Enrichment Of (S,S)-Isomer BHMT2, BHMT, MAT2A CES2 1723/4885CES1 625/4885HTT 491/4885

“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.