SCHEMBL22932069

SCHEMBL22932069

C=Nc1ccc(C(C)C)cc1SC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ RNASEH1 O60930 1/20 0.31
▸ TYR P14679 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
SCHEMBL19141648 0.73 — —
SCHEMBL10282138 0.73 HPGD (0.36) CRHR1ALDH1A1HTTHIF1A
SCHEMBL12593462 0.72 LMNA (0.54) CRHR1ALDH1A1GAAALOX12HTT
SCHEMBL9909702 0.72 CRHR1 (0.42) CRHR1ALDH1A1GAAALOX12HTT
SCHEMBL25481760 0.71 TYR (0.35) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL21902397 0.71 ALDH1A1 (0.32) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL15984530 0.71 CRHR1 (0.41) CRHR1ALDH1A1GAAALOX12HTT
SCHEMBL7484629 0.71 ALDH1A1 (0.53) CRHR1ALDH1A1GAAALOX12HTT
SCHEMBL15614475 0.71 ALOX12 (0.59) CRHR1ALDH1A1GAAALOX12HTT
SCHEMBL19334606 0.71 LMNA (0.38) ALDH1A1GAAALOX12HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584748-B2 Spirocyclic compounds C4 THERAPEUTICS, INC. (US) 2023-02-21 — — US disclosed
US-20210032245-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2021-02-04 — — 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 (2 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-20210032245-A1 SPIROCYCLIC COMPOUNDS CRBN, RBX1, XIAP CRHR1 3126/4885ALDH1A1 2000/4885GAA 2719/4885
US-11584748-B2 Spirocyclic compounds CRBN, RBX1, XIAP CRHR1 3126/4885ALDH1A1 2000/4885GAA 2719/4885

“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.

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