SCHEMBL23023931

SCHEMBL23023931

COC(=O)C1(Cc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
MMP13 P45452 4/20 0.44
ADAM17 P78536 4/20 0.44
MMP2 P08253 2/20 0.44
MMP14 P50281 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
FPR3 P25089 2/20 0.43
FPR2 P25090 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL15549442 0.89 FPR2 (0.53) PKMFPR2MEN1KMT2A
SCHEMBL1002999 0.88 PKM (0.53) PKMMEN1KMT2A
SCHEMBL5674705 0.88 PKM (0.53) PKMMMP13ADAM17MMP2MMP14
SCHEMBL20510831 0.88 MMP13 (0.43) PKMMMP13ADAM17MMP2MMP14
SCHEMBL1002715 0.88 PKM (0.55) PKMGPR119ALOX15TSHRATM
SCHEMBL2375967 0.86 PKM (0.56) PKMGPR119ALOX15TSHRATM
SCHEMBL16987015 0.85 PKM (0.51) PKMMMP13ADAM17MMP2MMP14
SCHEMBL2375633 0.85 CYP3A4 (0.53) PKMMMP13ADAM17MMP2MMP14
SCHEMBL21383661 0.84 FPR2 (0.44) PKMFPR2MEN1KMT2A
SCHEMBL13183345 0.83 RORC (0.45) GPR119JAK2JAK1FPR3FPR2

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 10 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
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-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 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 (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 PKM 3436/4885MMP13 2929/4885ADAM17 3627/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 PKM 3436/4885MMP13 2929/4885ADAM17 3627/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 PKM 3436/4885MMP13 2929/4885ADAM17 3627/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC PKM 3731/4885MMP13 2598/4885ADAM17 3575/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 PKM 3436/4885MMP13 2929/4885ADAM17 3627/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 PKM 3436/4885MMP13 2929/4885ADAM17 3627/4885

“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.