SCHEMBL14937696

SCHEMBL14937696

C[C@H](Oc1ccc(Br)c(Cl)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
MAOB P27338 1/20 0.36
CTSS P25774 1/20 0.35
CHRNA3 P32297 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
EPAS1 Q99814 1/20 0.33
DHODH Q02127 4/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
P2RX3 P56373 4/20 0.31

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
SCHEMBL14937439 0.83 RORC (0.43) RORCCTSSMEN1KMT2ADHODH
SCHEMBL21835728 0.81 SMN1; SMN2 (0.39) RORCCHRNA3MEN1KMT2ASLC6A4
SCHEMBL3756550 0.80 ALDH1A1 (0.43) RORCMAOBCHRNA3MEN1KMT2A
SCHEMBL29754231 0.80 RORC (0.34) RORCMEN1KMT2ASLC6A4ALDH1A1
SCHEMBL4342358 0.77 ALOX15 (0.42) CHRNA3MEN1KMT2ASLC6A4LMNA
SCHEMBL2105856 0.75 RORC (0.45) RORCMEN1KMT2ADHODHALDH1A1
SCHEMBL19962979 0.75 MAOB (0.39) MAOBCHRNA3MEN1KMT2ALMNA
SCHEMBL19962980 0.75 MAOB (0.39) MAOBCHRNA3MEN1KMT2ALMNA
SCHEMBL2833080 0.74 LDHA (0.42) RORCMEN1KMT2ASLC6A4LMNA
SCHEMBL28778383 0.74 MAPT (0.43) RORCMEN1KMT2AKCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776392-B1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
EP-2776392-B1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
EP-2776392-A1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-17 EP disclosed
US-8796471-B2 Process for the preparation of proline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-05 US disclosed
US-8796471-B2 Process for the preparation of proline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-05 US disclosed
WO-2013068434-A1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO disclosed
US-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 US disclosed
US-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 US disclosed
WO-2013068434-A1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO 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-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES CTSS, CTSV, CTSZ RORC 4425/4885MAOB 806/4885CTSS 1/4885

“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.