Sugi Predict

Sugi Predict / Compounds / SCHEMBL9909658

SCHEMBL9909658

SCHEMBL9909658

O=C(CO)c1ccc(C(=O)CBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.67
▸ PTPN1 P18031 6/20 0.67
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC3 O15379 1/20 0.40

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
SCHEMBL205280 0.89 GSK3B (0.80) GSK3BPTPN1HDAC3HDAC4HDAC1
SCHEMBL30694356 0.87 KDM4E (0.50) GSK3BPTPN1KDM4EALDH1A1ABL1
SCHEMBL28594745 0.82 GSK3B (0.70) GSK3BPTPN1ALDH1A1
SCHEMBL689331 0.82 GSK3B (0.83) GSK3BPTPN1KDM4EALDH1A1L3MBTL1
SCHEMBL13080503 0.81 CES2 (0.55) GSK3BPTPN1KDM4EALDH1A1ABL1
SCHEMBL1365349 0.81 GSK3B (0.61) GSK3BPTPN1
SCHEMBL247615 0.80 GSK3B (0.70) GSK3BPTPN1ALDH1A1
SCHEMBL79354 0.80 PTPN1 (1.00) GSK3BPTPN1KDM4EALDH1A1ABL1
SCHEMBL70930 0.80 GSK3B (1.00) GSK3BPTPN1HDAC3HDAC4HDAC1
SCHEMBL55916 0.80 GSK3B (0.67) GSK3BKDM4EHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 — — US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 — — US disclosed
US-20170334867-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-11-23 — — US disclosed
US-20170166538-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-06-15 — — US disclosed
US-9428517-B2 Protease inhibitors MEDIVIR AB (SE) 2016-08-30 — — US disclosed
US-20160068539-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2016-03-10 — — US disclosed
US-9200006-B2 Protease inhibitors MEDIVIR AB (SE) 2015-12-01 — — US disclosed
US-20140221654-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2014-08-07 — — US disclosed
US-8735395-B2 Protease inhibitors MEDIVIR AB (SE) 2014-05-27 — — US disclosed
US-20130231349-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2013-09-05 — — US disclosed
US-8466158-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2013-06-18 — — US disclosed
US-8426421-B2 Protease inhibitors MEDIVIR AB (SE) 2013-04-23 — — US disclosed
US-20120289519-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-11-15 — — US disclosed
US-20120220602-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-08-30 — — US disclosed
US-8242119-B2 Protease inhibitors MEDIVIR AB (SE) 2012-08-14 — — US disclosed
US-8198283-B2 Cysteine protease inhibitors MEDIVIR AB (SE) 2012-06-12 — — US disclosed
US-20110105524-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2011-05-05 — — US disclosed
US-20110039862-A1 Protease Inhibitors MEDIVIR AB (SE) 2011-02-17 — — 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 (11 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-20120289519-A1 PROTEASE INHIBITORS F2RL1, F2RL3, PREP GSK3B 3280/4885PTPN1 3495/4885KDM4E 1932/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 GSK3B 2930/4885PTPN1 790/4885KDM4E 825/4885
US-20110105524-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV GSK3B 3545/4885PTPN1 3272/4885KDM4E 412/4885
US-20160068539-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS GSK3B 3137/4885PTPN1 3792/4885KDM4E 3773/4885
US-20170334867-A1 PROTEASE INHIBITORS CTSK, MMP26, MMP3 GSK3B 3428/4885PTPN1 4204/4885KDM4E 3966/4885
US-20110039862-A1 Protease Inhibitors CTSK, CTSF, CTSS GSK3B 3154/4885PTPN1 3780/4885KDM4E 3808/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 GSK3B 2930/4885PTPN1 790/4885KDM4E 825/4885
US-20170166538-A1 PROTEASE INHIBITORS MMP8, CTSK, CTSS GSK3B 3126/4885PTPN1 3714/4885KDM4E 3963/4885
US-20120220602-A1 CYSTEINE PROTEASE INHIBITORS CTSK, CTSL, CTSV GSK3B 3545/4885PTPN1 3272/4885KDM4E 412/4885
US-20130231349-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS GSK3B 3154/4885PTPN1 3780/4885KDM4E 3808/4885
US-20140221654-A1 PROTEASE INHIBITORS CTSK, CTSF, CTSS GSK3B 3137/4885PTPN1 3792/4885KDM4E 3773/4885

“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.