SCHEMBL20512264

SCHEMBL20512264

Cc1ccc(S(=O)(=O)NCCCC#CC(O)CCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.53
▸ ALDH1A1 P00352 10/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TBXAS1 P24557 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ TDP1 Q9NUW8 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
SCHEMBL20512229 0.93 ALDH1A1 (0.53) RAB9AALDH1A1MEN1KMT2ANPSR1
SCHEMBL20512227 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPSR1CA12
SCHEMBL20512261 0.82 CA12 (0.52) RAB9AALDH1A1MEN1KMT2ANPSR1
SCHEMBL28808214 0.78 ALDH1A1 (0.79) RAB9AALDH1A1MEN1KMT2ANPSR1
SCHEMBL20512232 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL29100457 0.77 ALDH1A1 (0.71) RAB9AALDH1A1MEN1KMT2ANPSR1
SCHEMBL625181 0.75 ALDH1A1 (0.84) RAB9AALDH1A1MEN1KMT2ANPSR1
SCHEMBL29028440 0.75 ALDH1A1 (0.55) RAB9AALDH1A1MEN1KMT2ANPSR1
SCHEMBL20512258 0.75 NPSR1 (0.51) ALDH1A1MEN1KMT2ANPSR1CA12
SCHEMBL3729538 0.73 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ANPSR1CA12

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 RAB9A 1707/4885ALDH1A1 2443/4885MEN1 849/4885
US-20180305371-A1 NOVEL LACTONES DHPS, FDPS, LSS RAB9A 1707/4885ALDH1A1 2443/4885MEN1 849/4885
US-10138252-B1 Lactones DHPS, FDPS, LSS RAB9A 2028/4885ALDH1A1 2208/4885MEN1 624/4885
US-10087190-B1 Lactones DHPS, FDPS, LSS RAB9A 2028/4885ALDH1A1 2208/4885MEN1 624/4885

“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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