SCHEMBL30355448

SCHEMBL30355448

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(S(=O)(=O)N(C)C)cc4)no3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA2 P00918 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ S1PR1 P21453 5/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL23524153 1.00 HDAC4 (0.43) HDAC4HDAC6SMN1; SMN2TSHRTDP1
SCHEMBL23524295 0.89 CA9 (0.50) CA2CA9CA12CA1S1PR1
SCHEMBL30355587 0.89 CA9 (0.50) CA2CA9CA12CA1S1PR1
SCHEMBL30355393 0.87 CA2 (0.37) SMN1; SMN2CA2CA9CA12CA1
SCHEMBL23524366 0.87 CA2 (0.37) SMN1; SMN2CA2CA9CA12CA1
SCHEMBL23523989 0.86 MAPT (0.42) SMN1; SMN2S1PR1LMNACNR1CNR2
SCHEMBL30355571 0.85 NPC1 (0.43) SMN1; SMN2HTTMEN1NPC1PKM
SCHEMBL23523716 0.85 NPC1 (0.43) SMN1; SMN2HTTMEN1NPC1PKM
SCHEMBL27100014 0.85 CNR1 (0.36) SMN1; SMN2S1PR1CNR1CNR2MEN1
SCHEMBL23523871 0.84 MAPT (0.43) SMN1; SMN2S1PR1CNR1CNR2MEN1

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — 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 (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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HDAC4 2175/4885HDAC6 2041/4885SMN1; SMN2 1320/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 HDAC4 704/4885HDAC6 856/4885SMN1; SMN2 619/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 HDAC4 2175/4885HDAC6 2041/4885SMN1; SMN2 1320/4885

“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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