SCHEMBL30355791

SCHEMBL30355791

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(NS(C)(=O)=O)cc4OC)no3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ CA2 P00918 5/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ CYP17A1 P05093 4/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL23523962 1.00 ADRA1D (0.40) ADRA1DADRA1AADRA1BCA2CA9
SCHEMBL30355466 0.88 KCNH2 (0.40) ADRA1DKCNH2KDM4EHPGD
SCHEMBL23524045 0.88 KCNH2 (0.40) ADRA1DKCNH2KDM4EHPGD
SCHEMBL30355359 0.87 SMN1; SMN2 (0.41) S1PR1KDM4ENPC1ALDH1A1HPGD
SCHEMBL23524124 0.87 SMN1; SMN2 (0.41) S1PR1KDM4ENPC1ALDH1A1HPGD
SCHEMBL25856458 0.85 TDP2 (0.41) ADRA1DCA2KCNH2ALDH1A1SMN1; SMN2
SCHEMBL23523917 0.83 SMN1; SMN2 (0.55) CA2CA9S1PR1KDM4ENPC1
SCHEMBL30355447 0.83 SMN1; SMN2 (0.55) CA2CA9S1PR1KDM4ENPC1
SCHEMBL23523882 0.82 S1PR1 (0.36) ADRA1DS1PR1KCNH2
SCHEMBL30355492 0.82 S1PR1 (0.36) ADRA1DS1PR1KCNH2

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 ADRA1D 81/4885ADRA1A 63/4885ADRA1B 69/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 ADRA1D 696/4885ADRA1A 404/4885ADRA1B 616/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ADRA1D 81/4885ADRA1A 63/4885ADRA1B 69/4885

“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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