SCHEMBL10325870

SCHEMBL10325870

CCOc1cc(CCS(C)(=O)=O)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.54
▸ CALM1 P0DP23 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA5A P35218 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PDE4B Q07343 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 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
Ammonia Solution, Strong SCHEMBL303558 0.98 PTGS2 (0.52) PTGS2CALM1SMN1; SMN2CA12CA1
Leucine SCHEMBL636008 0.82 LARS1 (0.43) PTGS2CALM1L3MBTL1POLBKDM4E
SCHEMBL23509449 0.82 CALM1 (0.47) CALM1SMN1; SMN2CA12CA1CA2
SCHEMBL23509400 0.81 PTGS2 (0.50) PTGS2SMN1; SMN2CA12CA1CA2
SCHEMBL12844009 0.80 CALM1 (0.61) CALM1CA2CYP19A1L3MBTL1POLB
SCHEMBL28148450 0.78 ALDH1A1 (0.47) CALM1SMN1; SMN2CA2L3MBTL1KDM4E
SCHEMBL3125186 0.78 CALM1 (0.58) CALM1CA2CYP19A1L3MBTL1POLB
SCHEMBL7089061 0.78 CALM1 (0.58) CALM1CA2CYP19A1L3MBTL1POLB
SCHEMBL1223578 0.78 KDM4E (0.77) CALM1CA2CYP19A1L3MBTL1POLB
SCHEMBL14308534 0.77 CALM1 (0.54) CALM1SMN1; SMN2CA2CYP19A1L3MBTL1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606907-A1 RACEMIC BETA-AMINOSULFONE COMPOUNDS Quimica Sintetica, S.A. (ES) 2020-02-12 — — EP claimed
EP-3606908-A1 RESOLUTION OF RACEMIC BETA-AMINOSULFONE COMPOUNDS Quimica Sintetica, S.A. (ES) 2020-02-12 — — EP claimed
WO-2018184933-A1 RACEMIC BETA-AMINOSULFONE COMPOUNDS QUIMICA SINTETICA, S. A. (ES) 2018-10-11 — — WO claimed
WO-2018184936-A1 RESOLUTION OF RACEMIC BETA-AMINOSULFONE COMPOUNDS QUIMICA SINTETICA, S. A. (ES) 2018-10-11 — — WO claimed
WO-2023116707-A1 PREPARATION FOR THIOPHENE DERIVATIVE 赣州和美药业有限公司 2023-06-29 — — WO disclosed
WO-2022132603-A1 PDE4 DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-06-23 — — WO disclosed
US-11149003-B2 Resolution of racemic beta-aminosulfone compounds QUIMICA SINTETICA, S.A. (ES) 2021-10-19 — — US disclosed
WO-2021119571-A1 PDE4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2021-06-17 — — WO disclosed
US-20200199072-A1 RESOLUTION OF RACEMIC BETA-AMINOSULFONE COMPOUNDS QUIMICA SINTETICA, S.A. (ES) 2020-06-25 — — US disclosed
EP-3606908-B1 RESOLUTION OF RACEMIC BETA-AMINOSULFONE COMPOUNDS QUIM SINTETICA S A (ES) 2020-06-17 — — EP disclosed
EP-3606907-A1 RACEMIC BETA-AMINOSULFONE COMPOUNDS Quimica Sintetica, S.A. (ES) 2020-02-12 — — EP disclosed
EP-3606908-A1 RESOLUTION OF RACEMIC BETA-AMINOSULFONE COMPOUNDS Quimica Sintetica, S.A. (ES) 2020-02-12 — — EP disclosed
US-9944599-B2 Processes for the preparation of beta-aminosulfone compounds LEK PHARMACEUTICALS (SI) 2018-04-17 — — US disclosed
WO-2017179065-A1 IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST DAVULURI RAMAMOHAN RAO (IN) 2017-10-19 — — WO disclosed
WO-2017175087-A1 PROCESS FOR PREPARATION OF AMORPHOUS APREMILAST INTAS PHARMACEUTICALS LTD. (IN) 2017-10-12 — — WO disclosed
WO-2017105263-A1 PROCESS FOR THE PREPARATION OF A PHARMACEUTICAL AGENT ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) 2017-06-22 — — WO disclosed
US-20170174627-A1 Processes For The Preparation Of Beta-Aminosulfone Compounds LEK PHARMACEUTICALS D.D. (SI) 2017-06-22 — — US disclosed
WO-2017046319-A1 A SYNTHETIC PATHWAY TOWARDS APREMILAST LEK PHARMACEUTICALS D.D. (SI) 2017-03-23 — — WO disclosed
WO-2016199031-A1 PROCESS FOR PREPARATION OF APREMILAST AND ITS INTERMEDIATES DR. REDDY’S LABORATORIES LIMITED (IN) 2016-12-15 — — WO disclosed
WO-2012097116-A2 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES CELGENE CORPORATION (US) 2012-07-19 — — 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 (3 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-20170174627-A1 Processes For The Preparation Of Beta-Aminosulfone Compounds TPMT, MPST, CBS PTGS2 892/4885CALM1 2723/4885SMN1; SMN2 645/4885
US-20200199072-A1 RESOLUTION OF RACEMIC BETA-AMINOSULFONE COMPOUNDS TPMT, DHPS, SRMS PTGS2 287/4885CALM1 2955/4885SMN1; SMN2 804/4885
US-11149003-B2 Resolution of racemic beta-aminosulfone compounds TPMT, DHPS, SRMS PTGS2 287/4885CALM1 2955/4885SMN1; SMN2 804/4885

“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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