SCHEMBL2279716

SCHEMBL2279716

Fc1ccccc1C1SCCCS1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.44
KDM1B Q8NB78 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
EEF2K O00418 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP19A1 P11511 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL29760847 1.00 KDM1A (0.44) KDM1AKDM1BKDM4EGAAHTR2C
SCHEMBL25347747 0.91 KDM1A (0.47) KDM1AKDM1BKDM4EGAAHTR2C
SCHEMBL5909047 0.84 FAAH (0.38) KDM4ENPSR1MEN1KMT2AFAAH
SCHEMBL4449862 0.76 BRD4 (0.38) BRD4FAAHADRA1DADRA1A
SCHEMBL21383943 0.76 HTR2A (0.41) KDM1AKDM1BKDM4EHTR2CHTR2B
SCHEMBL30529429 0.76 HTR2A (0.41) KDM1AKDM1BKDM4EHTR2CHTR2B
SCHEMBL30529433 0.76 KDM1A (0.47) KDM1AKDM1BHTR2CMEN1KMT2A
SCHEMBL21383674 0.76 KDM1A (0.47) KDM1AKDM1BHTR2CMEN1KMT2A
SCHEMBL16597319 0.75 MEN1 (0.54) KDM4EGAAHTR2CHTR2BNPSR1
SCHEMBL863809 0.73 KDM1A (0.39) KDM1AKDM1BKDM4EGAAHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 CN disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
EP-1910348-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-04-16 EP disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 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 (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-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS GRK2, MAPK9, MAPK1 KDM1A 1426/4885KDM1B 1202/4885KDM4E 1018/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 KDM1A 1019/4885KDM1B 718/4885KDM4E 756/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 KDM1A 1019/4885KDM1B 718/4885KDM4E 756/4885
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors GRK2, MAPK1, GRK4 KDM1A 1496/4885KDM1B 1318/4885KDM4E 1092/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ KDM1A 2589/4885KDM1B 1958/4885KDM4E 2062/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 KDM1A 1019/4885KDM1B 718/4885KDM4E 756/4885

“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.