SCHEMBL10026067

SCHEMBL10026067

CSCC(=O)NCC(=O)NCC(=O)NCC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CACNA1H O95180 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL14241656 0.92 MAPT (0.33) ALDH1A1CACNA1HHPGDMAPT
SCHEMBL24296697 0.85 ALDH1A1 (0.31) ALDH1A1TSHRCACNA1HRECQLGAA
SCHEMBL21708194 0.76 TERT (0.36) CACNA1HRECQL
SCHEMBL23185124 0.75 LMNA (0.38) ALDH1A1TSHRRECQLGAAHPGD
SCHEMBL2839703 0.75 CYP2D6 (0.34) CACNA1HRECQLGAA
SCHEMBL6036335 0.75 KDM4E (0.36) ALDH1A1TSHRCACNA1HRECQL
SCHEMBL8070363 0.74 PDE4B (0.33) CACNA1H
SCHEMBL24296912 0.73 RECQL (0.34) CACNA1HRECQLGAA
SCHEMBL20158616 0.73 HPGD (0.46) RECQLHPGD
SCHEMBL20261234 0.73 CACNA1H (0.31) CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348405-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSTY 2023-11-02 US disclosed
US-11661402-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2023-05-30 US disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 US disclosed
US-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-12 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 (4 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-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 ALDH1A1 1909/4885TSHR 3529/4885CACNA1H 3172/4885
US-20230348405-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF KLK3, FOLH1, SPR ALDH1A1 2762/4885TSHR 1759/4885CACNA1H 3746/4885
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 ALDH1A1 1909/4885TSHR 3529/4885CACNA1H 3172/4885
US-11661402-B2 PSMA-targeting compounds and uses thereof KLK3, FOLH1, SPR ALDH1A1 2762/4885TSHR 1759/4885CACNA1H 3746/4885

“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.