SCHEMBL21132292

SCHEMBL21132292

COC(CO)CNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.56
▸ ALDH1A1 P00352 9/20 0.55
▸ TSHR P16473 1/20 0.55
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL5599840 0.81 MEN1 (0.66) GBA1ALDH1A1TSHRLMNAHPGD
SCHEMBL12406336 0.80 GBA1 (0.66) GBA1ALDH1A1TSHRKMT2AMEN1
SCHEMBL19011400 0.80 GBA1 (0.61) GBA1ALDH1A1TSHRKMT2AMEN1
SCHEMBL13840405 0.80 GBA1 (0.61) GBA1ALDH1A1TSHRKMT2AMEN1
SCHEMBL10332261 0.78 GBA1 (0.59) GBA1ALDH1A1TSHRLMNAHPGD
SCHEMBL28686588 0.77 GBA1 (0.67) GBA1ALDH1A1TSHRKMT2AMEN1
SCHEMBL9485564 0.77 ALDH1A1 (0.65) GBA1ALDH1A1TSHRKMT2AMEN1
SCHEMBL4463262 0.76 GBA1 (0.70) GBA1ALDH1A1TSHRKMT2AMEN1
SCHEMBL3716602 0.76 GBA1 (0.70) GBA1ALDH1A1TSHRKMT2AMEN1
SCHEMBL3723855 0.76 GBA1 (0.70) GBA1ALDH1A1TSHRKMT2AMEN1

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-10548862-B2 Topical formulation and method for preventing or treating acne Wu, Lester J. (US) 2020-02-04 — — US disclosed
US-20190201356-A1 TOPICAL FORMULATION AND METHOD FOR PREVENTING OR TREATING ACNE GONGWIN BIOPHARM CO., LTD. (TW) 2019-07-04 — — 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-10548862-B2 Topical formulation and method for preventing or treating acne CUTA, STS, ALAD GBA1 1583/4885ALDH1A1 669/4885TSHR 2402/4885
US-20190201356-A1 TOPICAL FORMULATION AND METHOD FOR PREVENTING OR TREATING ACNE CUTA, STS, ALAD GBA1 1583/4885ALDH1A1 669/4885TSHR 2402/4885

“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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