SCHEMBL23558541

SCHEMBL23558541

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ S1PR1 P21453 9/20 0.37
▸ CA2 P00918 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ S1PR5 Q9H228 5/20 0.34
▸ S1PR3 Q99500 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MDM4 O15151 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
SCHEMBL30355373 0.95 S1PR1 (0.40) MAPTTP53POLBS1PR1CA2
SCHEMBL23524009 0.95 S1PR1 (0.40) MAPTTP53POLBS1PR1CA2
SCHEMBL30355359 0.91 SMN1; SMN2 (0.41) MAPTTP53POLBS1PR1S1PR5
SCHEMBL23524124 0.91 SMN1; SMN2 (0.41) MAPTTP53POLBS1PR1S1PR5
SCHEMBL30355529 0.85 MAPT (0.47) MAPTTP53POLBCA2SMN1; SMN2
SCHEMBL23523926 0.85 MAPT (0.47) MAPTTP53POLBCA2SMN1; SMN2
SCHEMBL30355550 0.80 TP53 (0.44) MAPTTP53POLBS1PR1CA2
SCHEMBL23523927 0.80 TP53 (0.44) MAPTTP53POLBS1PR1CA2
SCHEMBL23523962 0.78 ADRA1D (0.40) S1PR1CA2SMN1; SMN2NPC1RAB9A
SCHEMBL30355791 0.78 ADRA1D (0.40) S1PR1CA2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 3799/4885TP53 4030/4885POLB 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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