SCHEMBL30156583

SCHEMBL30156583

C[C@](O)(COS(=O)(=O)c1ccc2ccccc2c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
ACACB O00763 1/20 0.40
HTT P42858 2/20 0.40
KAT6A Q92794 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MAPT P10636 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
SCHEMBL30156675 1.00 F2 (0.43) F2PRSS1PRSS2PRSS3GAA
SCHEMBL9040346 0.83 LMNA (0.47) GAAL3MBTL1PKMLMNASMN1; SMN2
SCHEMBL29658223 0.79 ALDH1A1 (0.46) GAAALDH1A1MMP1MMP9MMP13
SCHEMBL30156542 0.79 ALDH1A1 (0.46) GAAALDH1A1MMP1MMP9MMP13
SCHEMBL14460714 0.79 ALDH1A1 (0.46) GAAALDH1A1MMP1MMP9MMP13
SCHEMBL10540594 0.78 KAT6A (0.43) F2PRSS1PRSS2PRSS3GAA
SCHEMBL9038709 0.78 LMNA (0.42) GAAL3MBTL1PKMLMNAALDH1A1
SCHEMBL9442565 0.75 L3MBTL1 (0.56) F2PRSS1PRSS2PRSS3GAA
SCHEMBL15177540 0.74 ALDH1A1 (0.44) F2PRSS1PRSS2PRSS3GAA
SCHEMBL15000836 0.74 LMNA (0.55) F2PRSS1PRSS2PRSS3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368214-A1 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2024-11-07 US disclosed
EP-4392432-A2 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2024-07-03 EP disclosed
WO-2023028278-A2 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2023-03-02 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-20240368214-A1 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF GRIN1, GRIN3A, GRIN2B F2 2196/4885PRSS1 3801/4885PRSS2 4404/4885

“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.