SCHEMBL21648121

SCHEMBL21648121

CCC(=O)C1=C(O)CSC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ FASN P49327 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP3A4 P08684 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HPGD P15428 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
SCHEMBL21648089 0.85 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21648085 0.77 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4574359 0.64 — —
SCHEMBL592823 0.63 — —
SCHEMBL30993737 0.58 CHRNB2 (0.35) ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL21648106 0.56 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21648159 0.55 — —
SCHEMBL2051779 0.55 — —
SCHEMBL7627319 0.54 — —
SCHEMBL21648140 0.54 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127255-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (GB) 2022-04-28 — — US disclosed
US-20200031796-A1 COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION L'OREAL (FR) 2020-01-30 — — US disclosed
US-20200030215-A1 AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION L'OREAL (FR) 2020-01-30 — — 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 (3 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-20220127255-A1 HERBICIDAL COMPOUNDS DDT, HDHD5, HPD ALDH1A1 117/4885MAPT 3573/4885MEN1 4688/4885
US-20200030215-A1 AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION KRT18, MUC1, MGMT ALDH1A1 2831/4885MAPT 396/4885MEN1 1465/4885
US-20200031796-A1 COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION KRT18, KRTCAP2, MUC1 ALDH1A1 3178/4885MAPT 388/4885MEN1 2449/4885

“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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