Sugi Predict

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SCHEMBL1348953

SCHEMBL1348953

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.72
▸ MAPT P10636 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ MAPK1 P28482 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ TGM2 P21980 6/20 0.49
▸ F13A1 P00488 4/20 0.49
▸ TGM1 P22735 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL16906776 0.81 TGM2 (0.52) POLBMAPK1HSD17B10TGM2F13A1
SCHEMBL6888393 0.81 POLB (0.52) POLBMAPTHTTMAPK1ALDH1A1
SCHEMBL16781 0.79 PKM (0.71) POLBMAPTALDH1A1PKMKMT2A
SCHEMBL710366 0.78 TGM2 (0.64) PKMTGM2F13A1TGM1
SCHEMBL2993949 0.78 HPGD (0.56) MAPTHTTMAPK1ALDH1A1HPGD
SCHEMBL24716815 0.77 TGM2 (0.45) POLBPKMTGM2F13A1TGM1
SCHEMBL28630437 0.77 TGM2 (0.51) POLBPKMTGM2F13A1TGM1
SCHEMBL16906770 0.76 TGM2 (0.51) POLBHSD17B10TGM2F13A1TGM1
SCHEMBL1348985 0.75 MAPT (1.00) POLBMAPTHTTMAPK1HSD17B10
SCHEMBL6977155 0.75 TGM2 (0.62) PKMTGM2F13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323369-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-02-21 — — EP disclosed
CN-117120450-A Thienopyrrole compounds 吉利德科学公司 2023-11-24 — — CN disclosed
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
US-11661431-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2023-05-30 — — US disclosed
US-11661431-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2023-05-30 — — US disclosed
WO-2022221642-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-20 — — WO disclosed
WO-2022221642-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-20 — — WO disclosed
US-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 — — US disclosed
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2010-08-19 — — US disclosed
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 — — US disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 — — EP disclosed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 — — US disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 — — US disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 — — EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 — — US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 — — US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 — — US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 — — 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 (6 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-20230365594-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 POLB 2922/4885MAPT 3260/4885HTT 3228/4885
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 POLB 1271/4885MAPT 181/4885HTT 1390/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 POLB 1271/4885MAPT 181/4885HTT 1390/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 POLB 1271/4885MAPT 181/4885HTT 1390/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT POLB 1267/4885MAPT 260/4885HTT 1306/4885
US-11661431-B2 Thienopyrrole compounds SSB, TPMT, LCP2 POLB 2922/4885MAPT 3260/4885HTT 3228/4885

“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.