SCHEMBL21044336

SCHEMBL21044336

Nc1ccc(-c2cncc(OCC(F)(F)F)c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.51
CYP11B1 P15538 8/20 0.51
BACE1 P56817 2/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CTPS1 P17812 1/20 0.40
AKT1 P31749 5/20 0.39
CDC7 O00311 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 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
SCHEMBL21044415 0.83 CYP11B1 (0.66) CYP11B2CYP11B1BACE1KCNH2ALDH1A1
SCHEMBL21044048 0.83 BACE1 (0.49) CYP11B2CYP11B1BACE1KCNH2ALDH1A1
SCHEMBL21044043 0.81 INPPL1 (0.55) CYP11B2CYP11B1BACE1KCNH2ALDH1A1
SCHEMBL21077193 0.77 CYP11B2 (0.62) CYP11B2CYP11B1BACE1ALOX5APFEN1
SCHEMBL21044091 0.76 CYP11B2 (0.53) CYP11B2CYP11B1ALDH1A1MAPTALOX5AP
SCHEMBL21044255 0.76 CYP11B1 (0.50) CYP11B2CYP11B1BACE1KCNH2
SCHEMBL21044053 0.75 CYP11B1 (0.66) CYP11B2CYP11B1ALOX5APFEN1CTPS1
SCHEMBL24884228 0.74 BACE1 (0.42) CYP11B2CYP11B1BACE1KCNH2CTPS1
SCHEMBL24534141 0.73 ALDH1A1 (0.63) BACE1KCNH2ALDH1A1MAPT
SCHEMBL21044319 0.73 CYP11B2 (0.58) CYP11B2CYP11B1BACE1KCNH2ALDH1A1

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
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US disclosed
EP-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 EP disclosed
EP-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 EP disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP 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 (4 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CYP11B2 1869/4885CYP11B1 1418/4885BACE1 3449/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CYP11B2 9/4885CYP11B1 10/4885BACE1 380/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CYP11B2 9/4885CYP11B1 10/4885BACE1 380/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CYP11B2 6/4885CYP11B1 5/4885BACE1 347/4885

“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.