SCHEMBL21397495

SCHEMBL21397495

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@H]2N[S@+]([O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ NAMPT P43490 8/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL22440518 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL29832106 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL29832077 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL22054837 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL27193052 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL23902047 1.00 ATM (0.41) ATMNAMPTTSHRALOX15GPR119
SCHEMBL23046046 0.91 NAMPT (0.40) ATMNAMPTGPR119KDM1AMAPK1
SCHEMBL23046045 0.91 NAMPT (0.40) ATMNAMPTGPR119KDM1AMAPK1
SCHEMBL21940706 0.91 NAMPT (0.40) ATMNAMPTGPR119KDM1AMAPK1
SCHEMBL21940884 0.91 NAMPT (0.40) ATMNAMPTGPR119KDM1AMAPK1

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-12441743-B2 Spiro aromatic ring compound and use thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2025-10-14 — — US disclosed
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 — — US disclosed
CN-115916765-B Pyridine or pyrimidine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-18 — — CN disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 — — EP disclosed
US-20240376119-A1 SPIRO COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2024-11-14 — — US disclosed
CN-113874363-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-11-12 — — CN disclosed
CN-114341124-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-09-20 — — CN 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-113493440-B Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2024-08-23 — — CN disclosed
WO-2020249079-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR 北京盛诺基医药科技股份有限公司 2020-12-17 — — WO disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 — — US disclosed
US-10844079-B2 Spiro aromatic ring compound and application thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2020-11-24 — — US disclosed
US-20200317695-A1 SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2020-10-08 — — US disclosed
EP-3712151-A1 SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2020-09-23 — — EP disclosed
WO-2020156242-A1 SHP2 INHIBITOR AND APPLICATION THEREOF 贝达药业股份有限公司 2020-08-06 — — WO disclosed
WO-2020156243-A1 SHP2 INHIBITOR AND APPLICATION THEREOF 贝达药业股份有限公司 2020-08-06 — — WO disclosed
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-04-09 — — US disclosed
WO-2020063760-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-04-02 — — WO 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 (8 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-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 ATM 1242/4885NAMPT 2309/4885TSHR 3144/4885
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES DPYD, KRAS, ABL1 ATM 466/4885NAMPT 288/4885TSHR 3277/4885
US-12441743-B2 Spiro aromatic ring compound and use thereof PTPN1, PTPN11, PTPN5 ATM 662/4885NAMPT 1364/4885TSHR 1373/4885
US-20240376119-A1 SPIRO COMPOUND AND USE THEREOF ROR1, PTPN1, PTPN5 ATM 770/4885NAMPT 1133/4885TSHR 2362/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ ATM 3041/4885NAMPT 2775/4885TSHR 2954/4885
US-10844079-B2 Spiro aromatic ring compound and application thereof PTPN1, PTPN11, PTPN5 ATM 564/4885NAMPT 1459/4885TSHR 1262/4885
US-20200317695-A1 SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF PTPN1, PTPN11, PTPN5 ATM 564/4885NAMPT 1459/4885TSHR 1262/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 ATM 1242/4885NAMPT 2309/4885TSHR 3144/4885

“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.

Send feedback