SCHEMBL25609885

SCHEMBL25609885

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)NCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ TSHR P16473 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.57
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HTT P42858 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
SCHEMBL24019582 0.85 ALDH1A1 (0.79) ALDH1A1TSHRNPSR1GAAHPGD
SCHEMBL24019616 0.84 ALDH1A1 (0.77) ALDH1A1TSHRNPSR1GAAHPGD
SCHEMBL25609751 0.82 HPGD (0.58) ALDH1A1TSHRNPSR1GAAHPGD
SCHEMBL24019584 0.82 ALDH1A1 (0.70) ALDH1A1TSHRNPSR1HPGDKMT2A
SCHEMBL24209903 0.82 NPSR1 (0.68) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL24019617 0.79 NPSR1 (0.71) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL22010389 0.79 HPGD (0.69) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL24209779 0.78 KMT2A (0.76) ALDH1A1NPSR1GAAHPGDKMT2A
SCHEMBL24029199 0.77 ALDH1A1 (0.70) ALDH1A1TSHRNPSR1HPGDKMT2A
SCHEMBL24019615 0.77 NPSR1 (0.62) ALDH1A1TSHRNPSR1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 — — 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 (1 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-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 ALDH1A1 1206/4885TSHR 4635/4885NPSR1 4628/4885

“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.

Send feedback