SCHEMBL21397747

SCHEMBL21397747

COc1cccc(-n2nccc2C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NOTUM Q6P988 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD11B1 P28845 1/20 0.45
LMNA P02545 2/20 0.45
MGLL Q99685 1/20 0.45
HPGD P15428 3/20 0.45
S1PR4 O95977 1/20 0.45
MAPT P10636 1/20 0.45
S1PR1 P21453 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL30529302 0.87 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL23023963 0.87 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL856957 0.79 POLB (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL27758229 0.79 NR3C2 (0.48) NOTUMRAB9AL3MBTL1MGLLKMT2A
SCHEMBL28051321 0.79 ALKBH5 (0.44) ALDH1A1ALKBH5RAB9ASMN1; SMN2NPBWR1
SCHEMBL24635840 0.78 MAPT (0.51) ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPSR1
Hydrochloric Acid SCHEMBL11893514 0.77 POLB (0.50) ALDH1A1SMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL22800292 0.77 ALDH1A1 (0.39) ALDH1A1NOTUMSMN1; SMN2L3MBTL1HPGD
SCHEMBL6168267 0.76 SLC7A5 (0.43) ALDH1A1NPBWR1MCHR1L3MBTL1HPGD
SCHEMBL10467154 0.75 KMT2A (0.53) NOTUMALKBH5RAB9ASMN1; SMN2HPGD

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 15 patents. 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
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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRODINGER, INC. 2022-10-06 US disclosed
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRODINGER, INC. 2022-10-06 US disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 CN disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 ALDH1A1 3280/4885NOTUM 4201/4885ALKBH5 2963/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 ALDH1A1 3280/4885NOTUM 4201/4885ALKBH5 2963/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 ALDH1A1 3280/4885NOTUM 4201/4885ALKBH5 2963/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC ALDH1A1 3858/4885NOTUM 4040/4885ALKBH5 2269/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 ALDH1A1 3280/4885NOTUM 4201/4885ALKBH5 2963/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 ALDH1A1 3280/4885NOTUM 4201/4885ALKBH5 2963/4885

“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.