SCHEMBL23046045

SCHEMBL23046045

CC(C)(C)OC(=O)N1CC2(Cc3ccccc3[C@@H]2N[S@+]([O-])C(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ TAOK3 Q9H2K8 1/20 0.34
▸ STS P08842 1/20 0.34

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
SCHEMBL21940884 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL29505983 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL21940706 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL29506056 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL29506011 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL23046046 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL22054837 0.91 ATM (0.41) NAMPTMAPK1GPR119KDM4EPKM
SCHEMBL22440518 0.91 ATM (0.41) NAMPTMAPK1GPR119KDM4EPKM
SCHEMBL23902047 0.91 ATM (0.41) NAMPTMAPK1GPR119KDM4EPKM
SCHEMBL21397495 0.91 ATM (0.41) NAMPTMAPK1GPR119KDM4EPKM

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 14 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-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
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 — — CN disclosed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 — — 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 (7 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 NAMPT 2309/4885MAPK1 458/4885DDB1 1512/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 NAMPT 2309/4885MAPK1 458/4885DDB1 1512/4885
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PTP4A1, PPP5C NAMPT 1714/4885MAPK1 184/4885DDB1 976/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 NAMPT 2309/4885MAPK1 458/4885DDB1 1512/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC NAMPT 1909/4885MAPK1 769/4885DDB1 1135/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 NAMPT 2309/4885MAPK1 458/4885DDB1 1512/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 NAMPT 2309/4885MAPK1 458/4885DDB1 1512/4885

“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.

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