SCHEMBL18189140

SCHEMBL18189140

CCS(=O)(=O)c1ccc(C(Oc2ccc(C#N)cc2)C(=O)NC2CCC(O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SCN9A Q15858 2/20 0.40
RORC P51449 5/20 0.40
ALDH1A1 P00352 2/20 0.38
RORA P35398 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 1/20 0.36
MMP1 P03956 1/20 0.36
ADAM17 P78536 1/20 0.36
EPHX2 P34913 1/20 0.36
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
POLB P06746 1/20 0.35
PRKAA2 P54646 1/20 0.35

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
SCHEMBL18189154 0.82 MMP1 (0.40) RORCALDH1A1RORAKDM1AMMP1
SCHEMBL18189287 0.76 ALDH1A1 (0.43) RORCALDH1A1RORAEPHX2
SCHEMBL18189414 0.73 CD274 (0.48) TSHRSCN9AHRH2HRH1POLB
SCHEMBL18189253 0.73 CHRM1 (0.41) RORCALDH1A1RORAADAM17EPHX2
SCHEMBL30426010 0.72 RORC (0.42) RORCALDH1A1RORA
SCHEMBL18189589 0.72 RORC (0.42) RORCALDH1A1RORA
SCHEMBL18189245 0.72 RAB9A (0.42) RORCALDH1A1RORAPOLB
SCHEMBL18189237 0.71 ALDH1A1 (0.48) TSHRRORCALDH1A1RORAHSD17B10
SCHEMBL20110745 0.70 RORC (0.46) RORCALDH1A1RORA
SCHEMBL30426609 0.70 RORC (0.40) SCN9ARORCALDH1A1RORAADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392092-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-12-17 US claimed
US-10647689-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-05-12 US claimed
WO-2016176473-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARC INSTITUTE (US) 2016-11-03 WO claimed
US-12071414-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2024-08-27 US disclosed
US-20230339872-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-10-26 US disclosed
US-20230339872-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-10-26 US disclosed
US-20230339872-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-10-26 US disclosed
US-11673873-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-06-13 US disclosed
US-11673873-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-06-13 US disclosed
US-11673873-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-06-13 US disclosed
US-20200392092-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-12-17 US disclosed
US-20200392092-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-12-17 US disclosed
US-10647689-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-05-12 US disclosed
US-10647689-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-05-12 US disclosed
US-20180118698-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2018-05-03 US disclosed
US-20180118698-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2018-05-03 US disclosed
US-20180118698-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2018-05-03 US disclosed
WO-2016176473-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARC INSTITUTE (US) 2016-11-03 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 (6 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-20230339872-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA TSHR 215/4885SCN9A 3723/4885RORC 2141/4885
US-20200392092-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA TSHR 215/4885SCN9A 3723/4885RORC 2141/4885
US-11673873-B2 Apelin receptor agonists and methods of use thereof APLNR, APMAP, EDNRA TSHR 215/4885SCN9A 3723/4885RORC 2141/4885
US-20180118698-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA TSHR 215/4885SCN9A 3723/4885RORC 2141/4885
US-10647689-B2 Apelin receptor agonists and methods of use thereof APLNR, APMAP, EDNRA TSHR 215/4885SCN9A 3723/4885RORC 2141/4885
US-12071414-B2 Apelin receptor agonists and methods of use thereof APLNR, APMAP, EDNRA TSHR 215/4885SCN9A 3723/4885RORC 2141/4885

“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.