SCHEMBL400508

SCHEMBL400508

O=S(=O)(c1ccc(CBr)cc1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
ALDH1A1 P00352 4/20 0.66
LMNA P02545 4/20 0.62
GAA P10253 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
TSHR P16473 2/20 0.58
HTT P42858 2/20 0.57
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL27728086 0.87 LMNA (0.68) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL12793245 0.86 POLB (0.88) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3341489 0.84 USP2 (0.68) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL22217089 0.84 USP2 (0.62) POLBALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL7903516 0.83 POLB (0.67) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4050436 0.83 POLB (0.67) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL8724926 0.83 POLB (0.67) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL15231957 0.83 POLB (0.67) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7904262 0.83 ALDH1A1 (0.70) POLBALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5018987 0.83 USP2 (0.71) POLBALDH1A1LMNAGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289838-A2 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2023-12-13 EP disclosed
EP-3599236-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2023-08-23 EP disclosed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2022-12-29 US disclosed
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2022-08-16 US disclosed
US-11225491-B2 Thiazolo-pyrimidine HIV-1 reverse transcriptase inhibitor, preparation method therefor, and uses thereof SHAN DONG UNIVERSITY (CN) 2022-01-18 US disclosed
US-20200361959-A1 THIAZOLO-PYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF SHAN DONG UNIVERSITY (CN) 2020-11-19 US disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-20200231567-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2020-07-23 US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 US disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
EP-1368327-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-6656932-B2 Treating osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure WARNER-LAMBERT COMPANY 2003-12-02 US disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-24 US disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2002064578-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-1993013079-A1 ANTIFOLATE QUINAZOLINES AGOURON PHARMACEUTICALS, INC. (US) 1993-07-08 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 (9 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 POLB 966/4885ALDH1A1 812/4885LMNA 1210/4885
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors MMP15, MMP13, MMP3 POLB 3288/4885ALDH1A1 399/4885LMNA 3858/4885
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 POLB 1548/4885ALDH1A1 133/4885LMNA 2856/4885
US-11225491-B2 Thiazolo-pyrimidine HIV-1 reverse transcriptase inhibitor, preparation method therefor, and uses thereof TYMP, TYMS, DPYD POLB 138/4885ALDH1A1 200/4885LMNA 3931/4885
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 POLB 1756/4885ALDH1A1 1096/4885LMNA 2785/4885
US-20200231567-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 POLB 1756/4885ALDH1A1 1096/4885LMNA 2785/4885
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CYP3A7, CYP3A4, CYP3A43 POLB 1756/4885ALDH1A1 1096/4885LMNA 2785/4885
US-20200361959-A1 THIAZOLO-PYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF TYMP, TYMS, DPYD POLB 138/4885ALDH1A1 200/4885LMNA 3931/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 POLB 1548/4885ALDH1A1 133/4885LMNA 2856/4885

“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.