SCHEMBL20512230

SCHEMBL20512230

Cc1ccc(S(=O)(=O)NCCC#CC(C)(C)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA12 O43570 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL20512247 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL20512270 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL20512265 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL17203236 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL5567042 0.76 ALDH1A1 (0.75) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL6020322 0.75 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL20512257 0.75 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL28529020 0.74 MMP2 (0.54) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL10223361 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL8213969 0.74 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180354963-A1 NOVEL LACTONES PURDUE RESEARCH FOUNDATION (US) 2018-12-13 — — US disclosed
US-10138252-B1 Lactones PURDUE RESEARCH FOUNDATION (US) 2018-11-27 — — US disclosed
US-20180305371-A1 NOVEL LACTONES PURDUE RESEARCH FOUNDATION (US) 2018-10-25 — — US disclosed
US-10087190-B1 Lactones PURDUE RESEARCH FOUNDATION (US) 2018-10-02 — — 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-20180354963-A1 NOVEL LACTONES DHPS, FDPS, LSS ALDH1A1 2443/4885MEN1 849/4885KMT2A 3125/4885
US-20180305371-A1 NOVEL LACTONES DHPS, FDPS, LSS ALDH1A1 2443/4885MEN1 849/4885KMT2A 3125/4885
US-10138252-B1 Lactones DHPS, FDPS, LSS ALDH1A1 2208/4885MEN1 624/4885KMT2A 3286/4885
US-10087190-B1 Lactones DHPS, FDPS, LSS ALDH1A1 2208/4885MEN1 624/4885KMT2A 3286/4885

“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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