SCHEMBL29892167

SCHEMBL29892167

CC(C)(C)OC(=O)N1CCC2(CC1)Oc1cc(F)ccc1[C@H]2N[S@+]([O-])C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ GPR119 Q8TDV5 7/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RORC P51449 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
SCHEMBL23046238 1.00 HDAC2 (0.39) HDAC2HDAC1IDO1GPR119CNR1
SCHEMBL24672643 1.00 HDAC2 (0.39) HDAC2HDAC1IDO1GPR119CNR1
SCHEMBL23046308 0.93 HDAC2 (0.41) HDAC2HDAC1IDO1GPR119MMP13
SCHEMBL29891302 0.93 HDAC2 (0.41) HDAC2HDAC1IDO1GPR119MMP13
SCHEMBL21384105 0.89 EPHX2 (0.34) CNR1
SCHEMBL21384107 0.89 EPHX2 (0.34) CNR1
SCHEMBL23046236 0.87 IDO1 (0.46) HDAC1IDO1GPR119
SCHEMBL30987345 0.87 IDO1 (0.46) HDAC1IDO1GPR119
SCHEMBL23500668 0.87 IDO1 (0.46) HDAC1IDO1GPR119
SCHEMBL29760886 0.87 IDO1 (0.46) HDAC1IDO1GPR119

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 7 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 HDAC2 1232/4885HDAC1 624/4885IDO1 2577/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 HDAC2 1232/4885HDAC1 624/4885IDO1 2577/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 HDAC2 1232/4885HDAC1 624/4885IDO1 2577/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 HDAC2 1232/4885HDAC1 624/4885IDO1 2577/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 HDAC2 1232/4885HDAC1 624/4885IDO1 2577/4885

“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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