SCHEMBL23539483

SCHEMBL23539483

COc1ccc(OCCC(C)(C)CCNC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.54
▸ MTNR1B P49286 1/20 0.54
▸ NPC1 O15118 2/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ATM Q13315 1/20 0.45
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL21596070 0.83 MTNR1A (0.75) MTNR1AMTNR1BNPC1KMT2ASMN1; SMN2
SCHEMBL29043346 0.81 L3MBTL1 (0.61) NPC1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL23539455 0.77 APP (0.45) MTNR1AMTNR1BNPC1KMT2ASMN1; SMN2
SCHEMBL21991329 0.75 PPARA (0.71) MTNR1AMTNR1BPPARAMAPT
SCHEMBL23539171 0.75 PPARA (0.47) MTNR1AMTNR1BNPC1KMT2ASMN1; SMN2
SCHEMBL21414840 0.74 PPARA (0.45) MTNR1AMTNR1BNPC1SMN1; SMN2ALDH1A1
SCHEMBL21992707 0.74 PPARA (0.54) MTNR1AMTNR1BNPC1KMT2ASMN1; SMN2
SCHEMBL21595955 0.72 NPC1 (0.73) MTNR1AMTNR1BNPC1KMT2ASMN1; SMN2
SCHEMBL21991979 0.71 PPARA (0.50) MTNR1AMTNR1BNPC1SMN1; SMN2TSHR
SCHEMBL21601467 0.71 CA12 (0.69) MTNR1AMTNR1BNPC1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 — — US disclosed
WO-2021127499-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 — — 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 (1 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-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 MTNR1A 2135/4885MTNR1B 2172/4885NPC1 2691/4885

“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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