SCHEMBL23524045

SCHEMBL23524045

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ ADRA1D P25100 1/20 0.39
▸ DPP4 P27487 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ BMP1 P13497 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MTOR P42345 1/20 0.35

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
SCHEMBL30355466 1.00 KCNH2 (0.40) KCNH2ADRA1DDPP4DPP7BMP1
SCHEMBL25856458 0.91 TDP2 (0.41) KCNH2ADRA1DMAPTCYP1A2CYP3A4
SCHEMBL30355492 0.90 S1PR1 (0.36) KCNH2ADRA1DDGAT1
SCHEMBL23523882 0.90 S1PR1 (0.36) KCNH2ADRA1DDGAT1
SCHEMBL30355763 0.88 NPC1 (0.37) KDM4EMAPTHPGDLMNAKMT2A
SCHEMBL23523852 0.88 NPC1 (0.37) KDM4EMAPTHPGDLMNAKMT2A
SCHEMBL23523962 0.88 ADRA1D (0.40) KCNH2ADRA1DKDM4EHPGD
SCHEMBL30355791 0.88 ADRA1D (0.40) KCNH2ADRA1DKDM4EHPGD
SCHEMBL23524446 0.87 GSK3B (0.39) ADRA1D
SCHEMBL30355402 0.87 GSK3B (0.39) ADRA1D

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 KCNH2 2306/4885ADRA1D 81/4885DPP4 1946/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 KCNH2 312/4885ADRA1D 696/4885DPP4 2868/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KCNH2 2306/4885ADRA1D 81/4885DPP4 1946/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 KCNH2 2306/4885ADRA1D 81/4885DPP4 1946/4885

“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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