SCHEMBL20512257

SCHEMBL20512257

C#CCCNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CA12 O43570 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ CA2 P00918 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MBTD1 Q05BQ5 1/20 0.50
▸ GBA1 P04062 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAPT P10636 2/20 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
SCHEMBL2624207 0.84 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL5567042 0.83 ALDH1A1 (0.75) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL18498695 0.83 SIGMAR1 (0.55) ALDH1A1MEN1KMT2ACA2GAA
SCHEMBL6020322 0.83 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL3874983 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACA2LMNA
SCHEMBL20390809 0.82 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ACA2
SCHEMBL8213969 0.81 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL7094852 0.80 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL7201051 0.80 ALDH1A1 (0.86) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL20512270 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4652154-A1 NOVEL ALPK1 INHIBITORS Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2025-11-26 — — EP disclosed
WO-2024153225-A1 NOVEL ALPK1 INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2024-07-25 — — WO disclosed
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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