SCHEMBL30355359

SCHEMBL30355359

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ HSD17B10 Q99714 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ TP53 P04637 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ S1PR1 P21453 5/20 0.39

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
SCHEMBL23524124 1.00 SMN1; SMN2 (0.41) SMN1; SMN2HTTMAPK1LMNAL3MBTL1
SCHEMBL23524009 0.91 S1PR1 (0.40) TP53POLBMAPTS1PR1S1PR5
SCHEMBL30355373 0.91 S1PR1 (0.40) TP53POLBMAPTS1PR1S1PR5
SCHEMBL23558541 0.91 MAPT (0.40) SMN1; SMN2HTTMAPK1LMNAL3MBTL1
SCHEMBL30355529 0.88 MAPT (0.47) SMN1; SMN2HTTMAPK1LMNAL3MBTL1
SCHEMBL23523926 0.88 MAPT (0.47) SMN1; SMN2HTTMAPK1LMNAL3MBTL1
SCHEMBL30355791 0.87 ADRA1D (0.40) SMN1; SMN2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL23523962 0.87 ADRA1D (0.40) SMN1; SMN2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL23523917 0.83 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KDM4EHSD17B10TP53
SCHEMBL30355447 0.83 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KDM4EHSD17B10TP53

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 SMN1; SMN2 1320/4885HTT 3156/4885MAPK1 1168/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 619/4885HTT 3284/4885MAPK1 2325/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885HTT 3156/4885MAPK1 1168/4885

“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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