SCHEMBL30355550

SCHEMBL30355550

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cncc(NC(C)=O)c4)no3)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ S1PR1 P21453 4/20 0.40
▸ CA2 P00918 1/20 0.39
▸ DYRK1A Q13627 4/20 0.37
▸ S1PR3 Q99500 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HAVCR2 Q8TDQ0 1/20 0.33

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
SCHEMBL23523927 1.00 TP53 (0.44) TP53MAPTPOLBS1PR1CA2
SCHEMBL23523926 0.90 MAPT (0.47) TP53MAPTPOLBCA2SMN1; SMN2
SCHEMBL30355529 0.90 MAPT (0.47) TP53MAPTPOLBCA2SMN1; SMN2
SCHEMBL30355492 0.86 S1PR1 (0.36) S1PR1DYRK1AS1PR3KCNH2
SCHEMBL23523882 0.86 S1PR1 (0.36) S1PR1DYRK1AS1PR3KCNH2
SCHEMBL23524369 0.86 S1PR1 (0.39) TP53MAPTS1PR1S1PR3SMN1; SMN2
SCHEMBL30355685 0.86 S1PR1 (0.39) TP53MAPTS1PR1S1PR3SMN1; SMN2
SCHEMBL23523881 0.85 S1PR1 (0.44) TP53MAPTS1PR1S1PR3SMN1; SMN2
SCHEMBL30355650 0.85 S1PR1 (0.44) TP53MAPTS1PR1S1PR3SMN1; SMN2
SCHEMBL23524283 0.85 S1PR1 (0.51) TP53MAPTS1PR1S1PR3SMN1; 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 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 TP53 4030/4885MAPT 3799/4885POLB 4432/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 TP53 4852/4885MAPT 1551/4885POLB 4750/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 TP53 4030/4885MAPT 3799/4885POLB 4432/4885

“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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