SCHEMBL23523926

SCHEMBL23523926

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.47
▸ POLB P06746 5/20 0.47
▸ TP53 P04637 4/20 0.47
▸ HPGD P15428 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ KMT2A Q03164 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ USP2 O75604 3/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ MAPK1 P28482 1/20 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
SCHEMBL30355529 1.00 MAPT (0.47) MAPTPOLBTP53HPGDLMNA
SCHEMBL23523927 0.90 TP53 (0.44) MAPTPOLBTP53HPGDLMNA
SCHEMBL30355550 0.90 TP53 (0.44) MAPTPOLBTP53HPGDLMNA
SCHEMBL30355763 0.88 NPC1 (0.37) MAPTPOLBTP53HPGDLMNA
SCHEMBL23523852 0.88 NPC1 (0.37) MAPTPOLBTP53HPGDLMNA
SCHEMBL23524124 0.88 SMN1; SMN2 (0.41) MAPTPOLBTP53HPGDLMNA
SCHEMBL30355359 0.88 SMN1; SMN2 (0.41) MAPTPOLBTP53HPGDLMNA
SCHEMBL23524078 0.87 S1PR1 (0.42) MAPTPOLBTP53CA2
SCHEMBL30355832 0.87 S1PR1 (0.42) MAPTPOLBTP53CA2
SCHEMBL23523871 0.86 MAPT (0.43) MAPTHPGDKMT2AMEN1ALDH1A1

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 6 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
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
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 (4 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 MAPT 3799/4885POLB 4432/4885TP53 4030/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 1551/4885POLB 4750/4885TP53 4852/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAPT 3799/4885POLB 4432/4885TP53 4030/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 3799/4885POLB 4432/4885TP53 4030/4885

“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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