SCHEMBL5319929

SCHEMBL5319929

CC(C)S(=O)(=O)c1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.50
▸ ALDH1A3 P47895 2/20 0.45
▸ CYP2A6 P11509 4/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ GRIA4 P48058 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.40
▸ CYP2A13 Q16696 1/20 0.40
▸ STS P08842 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH5A1 P51649 1/20 0.39
▸ ABAT P80404 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL10060475 0.83 ALDH1A1 (0.40) MMP1MMP2MMP13ALDH1A1
SCHEMBL10646187 0.83 TYR (0.47) TYRALDH1A3CYP2A6MMP1MMP2
SCHEMBL12891205 0.81 TDP1 (0.55) ALDH1A1HSD17B10KDM4E
SCHEMBL10060466 0.77 CA12 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL23715337 0.76 CA1 (0.44) TYRCYP2A6GRIA4ALDH1A1
SCHEMBL11014092 0.75 SMN1; SMN2 (0.47) TYRALDH1A3CYP2A6MMP1MMP2
SCHEMBL607349 0.75 ENPP2 (0.52) TYRCYP2A6ALDH1A1CYP2A13
SCHEMBL2657775 0.75 ALDH1A1 (0.36) MMP1MMP2MMP13ALDH1A1
SCHEMBL178444 0.75 GAA (0.56) MMP1MMP2MMP9MMP13ALDH1A1
SCHEMBL14520771 0.75 ENPP2 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 — — US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 — — US disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 — — US disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 — — EP disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 — — US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 — — US disclosed
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 — — WO disclosed
US-4396553-A Tetrahydronaphthalene and indane compounds useful as anti-tumor agents HOFFMANN-LA ROCHE INC. (US) 1983-08-02 — — 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 (5 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-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 TYR 1306/4885ALDH1A3 342/4885CYP2A6 44/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 TYR 1306/4885ALDH1A3 342/4885CYP2A6 44/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 TYR 1306/4885ALDH1A3 342/4885CYP2A6 44/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 TYR 1024/4885ALDH1A3 338/4885CYP2A6 47/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 TYR 1306/4885ALDH1A3 342/4885CYP2A6 44/4885

“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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