SCHEMBL9958965

SCHEMBL9958965

CC(C)(C)OC(=O)NC(Cc1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.55
PTPN1 P18031 1/20 0.52
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
ITGB1 P05556 2/20 0.52
MME P08473 1/20 0.52
ITGA4 P13612 1/20 0.52
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
CYP3A4 P08684 2/20 0.47
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46

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
SCHEMBL25355213 1.00 ACE (0.55) ACEPTPN1ITGB3ITGA2BITGB1
SCHEMBL9958960 1.00 ACE (0.55) ACEPTPN1ITGB3ITGA2BITGB1
SCHEMBL1743843 0.93 ACE (0.55) ACEPTPN1ITGB3ITGA2BITGB1
SCHEMBL11736921 0.89 CTSS (0.47) ACEPTPN1HPGDSMN1; SMN2CTSS
SCHEMBL8248143 0.88 CYP3A4 (0.48) HPGDSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL16460097 0.87 SMN1; SMN2 (0.46) ACEHPGDSMN1; SMN2CTSSCTSK
SCHEMBL16460098 0.87 SMN1; SMN2 (0.46) ACEHPGDSMN1; SMN2CTSSCTSK
SCHEMBL25132031 0.86 TAAR1 (0.58) HPGDSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL25132143 0.86 TAAR1 (0.58) HPGDSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6719702 0.85 SMN1; SMN2 (0.46) HPGDSMN1; SMN2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731211-A1 ALLYL- AND PROPARGYLAMINE-TYPE PHENETHYLAMINES AND TRYPTAMINES FOR TREATING MEDICAL DISORDERS Definium Therapeutics US, Inc. (US) 2026-04-29 EP disclosed
US-20250312309-A1 ALLYL-AND PROPARGYLAMINE-TYPE PHENETHYLAMINES AND TRYPTAMINES FOR TREATING MEDICAL DISORDERS Mind Medicine, Inc. (US) 2025-10-09 US disclosed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
WO-2024263978-A1 ALLYL- AND PROPARGYLAMINE-TYPE PHENETHYLAMINES AND TRYPTAMINES FOR TREATING MEDICAL DISORDERS Mind Medicine, Inc. (US) 2024-12-26 WO disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
CN-109134481-B Substituted pyrrole chromone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中山大学 2021-05-14 CN disclosed
EP-2655322-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS Diverchim (FR) 2013-10-30 EP disclosed
WO-2012085474-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2012-06-28 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 (3 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP ACE 457/4885PTPN1 4445/4885ITGB3 3500/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP ACE 458/4885PTPN1 4361/4885ITGB3 4109/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ACE 1529/4885PTPN1 4311/4885ITGB3 4142/4885

“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.