SCHEMBL23046244

SCHEMBL23046244

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cccc(F)c1[C@H]2N[S@+]([O-])C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.39
▸ KDM1A O60341 2/20 0.37
▸ NAMPT P43490 6/20 0.37
▸ RORC P51449 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ STS P08842 1/20 0.35

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
SCHEMBL23046243 1.00 GPR119 (0.39) GPR119KDM1ANAMPTRORCTSHR
SCHEMBL26317734 1.00 GPR119 (0.39) GPR119KDM1ANAMPTRORCTSHR
SCHEMBL29891058 1.00 GPR119 (0.39) GPR119KDM1ANAMPTRORCTSHR
SCHEMBL23508820 1.00 GPR119 (0.39) GPR119KDM1ANAMPTRORCTSHR
SCHEMBL29892178 1.00 GPR119 (0.39) GPR119KDM1ANAMPTRORCTSHR
SCHEMBL23024084 0.88 TRPM8 (0.31) —
SCHEMBL23024380 0.88 TRPM8 (0.31) —
SCHEMBL23024378 0.88 TRPM8 (0.31) —
SCHEMBL23024082 0.88 TRPM8 (0.31) —
SCHEMBL23508990 0.88 KDM1A (0.41) GPR119KDM1ANAMPTTSHRALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 GPR119 1069/4885KDM1A 1019/4885NAMPT 2309/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 GPR119 1069/4885KDM1A 1019/4885NAMPT 2309/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC GPR119 1659/4885KDM1A 1283/4885NAMPT 1909/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 GPR119 1069/4885KDM1A 1019/4885NAMPT 2309/4885

“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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