SCHEMBL16620907

SCHEMBL16620907

C[C@@H](N)CCc1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.55
ENPEP Q07075 2/20 0.55
FOLH1 Q04609 6/20 0.53
MEP1B Q16820 4/20 0.50
MRGPRX4 Q96LA9 3/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL848969 0.87 FOLH1 (0.56) ANPEPENPEPFOLH1MEP1BMRGPRX4
SCHEMBL22690106 0.85 ANPEP (0.56) ANPEPENPEPFOLH1
SCHEMBL14478232 0.85 ANPEP (0.69) ANPEPENPEPFOLH1
SCHEMBL1397444 0.85 ANPEP (0.69) ANPEPENPEPFOLH1
SCHEMBL9622159 0.85 ANPEP (0.69) ANPEPENPEPFOLH1
SCHEMBL25355588 0.84 ANPEP (0.55) ANPEPENPEPFOLH1
SCHEMBL25355590 0.84 ANPEP (0.55) ANPEPENPEPFOLH1
Hydrochloric Acid SCHEMBL27656347 0.83 ANPEP (0.67) ANPEPENPEPFOLH1
SCHEMBL10651279 0.83 SLC7A5 (0.62) MRGPRX4SMN1; SMN2
SCHEMBL23546238 0.81 GRIN2D (0.68) ANPEPENPEPFOLH1MEP1BMRGPRX4

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
US-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US claimed
US-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-10-19 US disclosed
US-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-10-19 US disclosed
WO-2023081893-A1 INTRACELLULAR TARGETING OF OLIGONUCLEOTIDES ENTRADA THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-20170157198-A1 TFPI INHIBITORS AND METHODS OF USE Baxalta GmbH (CH) 2017-06-08 US disclosed
EP-3052121-A2 WNT COMPOSITIONS AND METHODS FOR PURIFICATION The Board of Trustees of the Leland Stanford Junior University (US) 2016-08-10 EP disclosed
WO-2015051122-A2 WNT COMPOSITIONS AND METHODS FOR PURIFICATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-04-09 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-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 CDK4, CDK2, CDK8 ANPEP 1064/4885ENPEP 808/4885FOLH1 3060/4885
US-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF DDT, HDHD5, HPD ANPEP 568/4885ENPEP 670/4885FOLH1 1306/4885
US-20170157198-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F3 ANPEP 107/4885ENPEP 298/4885FOLH1 835/4885

“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.