SCHEMBL19852996

SCHEMBL19852996

CCC(=O)CC(C[N+](=O)[O-])C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.50
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 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
SCHEMBL19853044 0.86 CPA1 (0.52) CPA1ALDH1A1
SCHEMBL4253442 0.80 CPA1 (0.51) CPA1ALDH1A1CTSLCTSB
SCHEMBL19853046 0.80 CPA1 (0.41) CPA1ALDH1A1MEN1NPC1KMT2A
SCHEMBL15445430 0.74 SLC15A1 (0.49) CPA1ALDH1A1
SCHEMBL8436634 0.73 ALDH1A1 (0.60) ALDH1A1MEN1NPC1KMT2A
SCHEMBL9548377 0.72 ALDH1A1 (0.50) ALDH1A1NPC1KMT2ACTSLCTSB
SCHEMBL22831461 0.71 CPA1 (0.47) CPA1ALDH1A1KMT2ACTSB
SCHEMBL32688448 0.71 CPA1 (0.47) CPA1ALDH1A1KMT2ACTSB
SCHEMBL19618993 0.71 ALDH1A1 (0.53) ALDH1A1KMT2ACTSLCTSB
SCHEMBL15437884 0.71 ALDH1A1 (0.45) CPA1ALDH1A1MEN1NPC1KMT2A

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 404/4885ALDH1A1 227/4885MEN1 3588/4885
US-20190169125-A1 CONCISE PROCESS FOR PREPARING 3-PYRROLIDINE CARBOXYLIC ACID DERIVATIVES HPD, ALDH18A1, PGA5 CPA1 404/4885ALDH1A1 227/4885MEN1 3588/4885
US-10988446-B2 Concise process for preparing 3-pyrrolidine carboxylic acid derivatives HPD, ALDH18A1, PGA5 CPA1 404/4885ALDH1A1 227/4885MEN1 3588/4885

“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.