SCHEMBL17567261

SCHEMBL17567261

CC(C)C[C@H](C)C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
KISS1R Q969F8 3/20 0.32
CACNA2D1 P54289 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
MMP9 P14780 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL24119253 0.80 KISS1R (0.31) KISS1RALDH1A1
SCHEMBL8462357 0.79 RNPEP (0.37) RNPEPSLC7A5KISS1RCACNA2D1ALDH1A1
SCHEMBL18473806 0.78 SLC7A5 (0.38) SLC7A5SLC1A3SLC1A2
SCHEMBL5021517 0.78 GABRR1 (0.40) ALDH1A1
SCHEMBL17789270 0.77 RNPEP (0.36) RNPEPSLC7A5KISS1RCACNA2D1ALDH1A1
SCHEMBL19472111 0.77 RNPEP (0.32) RNPEPSLC7A5ALDH1A1TDP1
SCHEMBL16473990 0.77 RNPEP (0.32) RNPEPSLC7A5ALDH1A1TDP1
SCHEMBL12074463 0.76 TSHR (0.33) ALDH1A1
SCHEMBL1709308 0.76 TSHR (0.33) ALDH1A1
SCHEMBL269900 0.76 TSHR (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-20180222858-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2018-08-09 US disclosed
US-20160068566-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2016-03-10 US 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 (5 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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 RNPEP 299/4885SLC7A5 456/4885KISS1R 4559/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH RNPEP 244/4885SLC7A5 907/4885KISS1R 4203/4885
US-20180222858-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR RNPEP 2038/4885SLC7A5 405/4885KISS1R 433/4885
US-20160068566-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR RNPEP 2059/4885SLC7A5 404/4885KISS1R 403/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 RNPEP 299/4885SLC7A5 456/4885KISS1R 4559/4885

“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.