SCHEMBL5408880

SCHEMBL5408880

C[C@@H](Cc1cccc(OCCCC(=O)NCc2ccc(C(=O)O)cc2)c1)N(C)C(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MMP13 P45452 2/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MMP10 P09238 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGER4 P35408 1/20 0.40
CNR2 P34972 1/20 0.40
EPHX2 P34913 2/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL5245788 1.00 LMNA (0.46) LMNASMN1; SMN2MMP13TSHRRECQL
SCHEMBL3293973 0.86 LMNA (0.40) LMNASMN1; SMN2TSHRRECQLHPGD
SCHEMBL3293978 0.86 LMNA (0.40) LMNASMN1; SMN2TSHRRECQLHPGD
SCHEMBL3292496 0.83 MAOB (0.42) HDAC1HDAC2CYP2D6
SCHEMBL3292503 0.83 MAOB (0.42) HDAC1HDAC2CYP2D6
SCHEMBL3290983 0.78 PDK2 (0.46) MMP13TSHRL3MBTL1CYP2D6
SCHEMBL3290992 0.78 PDK2 (0.46) MMP13TSHRL3MBTL1CYP2D6
SCHEMBL13558499 0.77 ACHE (0.41) CYP2D6
SCHEMBL13295059 0.76 LMNA (0.42) LMNASMN1; SMN2MMP13TSHRRECQL
SCHEMBL3292370 0.75 PDK2 (0.48) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828106-B1 METHAMPHETAMINE DERIVATIVES AND CONJUGATES FOR IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2012-10-31 EP disclosed
EP-1828106-B1 METHAMPHETAMINE DERIVATIVES AND CONJUGATES FOR IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2012-10-31 EP disclosed
US-7294649-B2 Methamphetamine derivatives and conjugates for immunoassay ROCHE DIAGNOSTICS OPERATINS, INC. (US) 2007-11-13 US disclosed
US-7294649-B2 Methamphetamine derivatives and conjugates for immunoassay ROCHE DIAGNOSTICS OPERATINS, INC. (US) 2007-11-13 US disclosed
US-20060134711-A1 Methamphetamine derivatives and conjugates for immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2006-06-22 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-20060134711-A1 Methamphetamine derivatives and conjugates for immunoassay PNMT, COMT, MCHR1 LMNA 3446/4885SMN1; SMN2 1654/4885MMP13 2709/4885

“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.