SCHEMBL14937396

SCHEMBL14937396

O=C(O)[C@@H]1C[C@H](O)CN1C(=O)C1(C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
MME P08473 1/20 0.34
CTSS P25774 10/20 0.34
DGAT1 O75907 1/20 0.33
PIK3CD O00329 1/20 0.31
ACE P12821 1/20 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
SCHEMBL25381544 0.86 ATM (0.37) ATMCTSSDGAT1
SCHEMBL27285081 0.81 ATM (0.33) ATMCTSS
SCHEMBL31276598 0.80 ATM (0.35) ATMCTSS
SCHEMBL26251293 0.80 ATM (0.56) ATMMMEPIK3CDACE
SCHEMBL3070231 0.80 CTSS (0.42) CTSS
SCHEMBL27393371 0.79 ATM (0.34) ATMCTSSACE
SCHEMBL27285282 0.77 ATM (0.33) ATM
SCHEMBL14938155 0.77 ATM (0.61) ATMMMEPIK3CDACE
SCHEMBL3662304 0.76 ATM (0.59) ATMMMEPIK3CDACE
SCHEMBL27285075 0.76 ATM (0.32) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699044-B Novel pyrrolidine derivatives 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
US-10689339-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-23 US disclosed
US-20180362461-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-12-20 US 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-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 (3 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-20180362461-A1 NOVEL PYRROLIDINE DERIVATIVES ARG2, PYCR1, ARG1 ATM 3383/4885MME 4698/4885CTSS 2797/4885
US-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES CTSS, CTSV, CTSZ ATM 2839/4885MME 485/4885CTSS 1/4885
US-10689339-B2 Pyrrolidine derivatives PYCR1, AVPR2, ARG2 ATM 3201/4885MME 4541/4885CTSS 2385/4885

“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.