SCHEMBL23558399

SCHEMBL23558399

CC(C)Cc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CC4)co2)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MMP13 P45452 4/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ S1PR1 P21453 5/20 0.33
▸ XDH P47989 1/20 0.33
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL25857004 0.73 MAPT (0.46) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL30355574 0.69 S1PR1 (0.48) POLBS1PR1
SCHEMBL23524412 0.69 S1PR1 (0.48) POLBS1PR1
SCHEMBL6200142 0.66 MAPT (0.49) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL25864194 0.66 TBK1 (0.40) S1PR1XDH
SCHEMBL30355553 0.64 MAPT (0.40) CTSCMAPTNPC1MMP12RAB9A
SCHEMBL23523765 0.64 MAPT (0.40) CTSCMAPTNPC1MMP12RAB9A
SCHEMBL29754436 0.64 CA9 (0.53) NPC1CA9
SCHEMBL8247928 0.64 CA9 (0.53) NPC1CA9
SCHEMBL23524098 0.64 S1PR1 (0.44) CTSCMAP3K14POLBS1PR1

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-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 (2 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 CTSC 674/4885MAP3K14 2334/4885MAPT 3799/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CTSC 674/4885MAP3K14 2334/4885MAPT 3799/4885

“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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