SCHEMBL19853042

SCHEMBL19853042

CCOC(=O)C(CC=O)C[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.43
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CPB2 Q96IY4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL918077 0.82 ALDH1A1 (0.42) MEN1NPC1KMT2ACYP2C19CPB2
SCHEMBL4056303 0.79 ALDH1A1 (0.39) MEN1NPC1KMT2ACPB2ALDH1A1
SCHEMBL26113751 0.77 ALDH1A1 (0.37) MEN1NPC1KMT2ACYP2C19CPB2
SCHEMBL19838298 0.76 CPA1 (0.42) CPA1MEN1NPC1KMT2ACYP2C19
SCHEMBL16063917 0.76 HDAC1 (0.41) MEN1NPC1KMT2ACYP2C19CPB2
SCHEMBL28091205 0.76 HDAC1 (0.41) MEN1NPC1KMT2ACYP2C19CPB2
SCHEMBL19853046 0.75 CPA1 (0.41) CPA1MEN1NPC1KMT2ACPB2
SCHEMBL18764229 0.75 CPA1 (0.49) CPA1MEN1NPC1KMT2ACYP1A2
SCHEMBL1410076 0.75 CPA1 (0.49) CPA1MEN1NPC1KMT2ACYP1A2
SCHEMBL8582165 0.75 CPA1 (0.42) CPA1MEN1KMT2AALDH1A1MAPT

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-20190169125-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2019-06-06 US claimed
WO-2018025295-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2018-02-08 WO claimed
US-20210276954-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-09-09 US disclosed
US-20210276954-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-09-09 US disclosed
US-10988446-B2 Concise process for preparing 3-pyrrolidine carboxylic acid derivatives OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-04-27 US disclosed
US-10988446-B2 Concise process for preparing 3-pyrrolidine carboxylic acid derivatives OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-04-27 US disclosed
US-20190169125-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2019-06-06 US disclosed
US-20190169125-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2019-06-06 US disclosed
WO-2018025295-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2018-02-08 WO disclosed
WO-2018025295-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2018-02-08 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-20210276954-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES HPD, ALDH18A1, PGA5 CPA1 404/4885MEN1 3588/4885NPC1 3580/4885
US-20190169125-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES HPD, ALDH18A1, PGA5 CPA1 404/4885MEN1 3588/4885NPC1 3580/4885
US-10988446-B2 Concise process for preparing 3-pyrrolidine carboxylic acid derivatives HPD, ALDH18A1, PGA5 CPA1 404/4885MEN1 3588/4885NPC1 3580/4885

“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.