SCHEMBL17048423

SCHEMBL17048423

CC(C)CS(=O)(=O)c1ccc(CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.41
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 2/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20709252 0.82 CA2 (0.53) PSIP1MMP13MMP1ALDH1A1CA2
SCHEMBL4711634 0.81 PSIP1 (0.66) PSIP1MMP13MMP1ALDH1A1CA2
SCHEMBL20323484 0.81 CA1 (0.52) PSIP1MMP13MMP1ALDH1A1CA2
SCHEMBL710799 0.79 PSIP1 (0.63) PSIP1ALDH1A1CA2CA1CYP3A4
SCHEMBL17055773 0.79 TSHR (0.38) PSIP1ALDH1A1CA2CYP2C9CYP2C19
SCHEMBL2779200 0.78 ALDH1A1 (0.57) ALDH1A1CA2CA1CYP3A4CYP2C9
SCHEMBL1595559 0.77 CA2 (0.45) PSIP1ALDH1A1CA2CA1CYP3A4
SCHEMBL16799869 0.77 CA2 (0.46) ALDH1A1CA2GAA
SCHEMBL3067678 0.76 MMP13 (0.42) PSIP1MMP13MMP1ALDH1A1MMP2
SCHEMBL2923150 0.76 CA2 (0.52) MMP13MMP1ALDH1A1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 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
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
EP-3110794-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-01-04 EP disclosed
WO-2015130905-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-03 WO 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-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 PSIP1 2752/4885MMP13 1713/4885MMP1 2445/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 PSIP1 2752/4885MMP13 1713/4885MMP1 2445/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 PSIP1 2752/4885MMP13 1713/4885MMP1 2445/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 PSIP1 2752/4885MMP13 1713/4885MMP1 2445/4885

“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.