SCHEMBL20587133

SCHEMBL20587133

CN(c1ccc(C(=O)O)cc1C#N)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
AR P10275 1/20 0.39
HCAR3 P49019 1/20 0.38
XDH P47989 4/20 0.38
TDP1 Q9NUW8 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
SCHEMBL17519972 0.82 HCAR3 (0.51) ALDH1A1HPGDHCAR3XDH
SCHEMBL16731730 0.79 ALDH1A1 (0.50) ALDH1A1HPGDHCAR3XDH
SCHEMBL28590239 0.78 ALDH1A1 (0.38) ALDH1A1HPGDHCAR3XDH
SCHEMBL31003792 0.75 KMO (0.45) ALDH1A1HPGDXDH
SCHEMBL2433377 0.72 ALDH1A1 (0.45) ALDH1A1HCAR3TDP1
SCHEMBL4088178 0.72 HCAR3 (0.36) ALDH1A1HCAR3TDP1
SCHEMBL29472005 0.70 ALDH1A1 (0.59) ALDH1A1HPGDXDH
SCHEMBL4844022 0.70 ALDH1A1 (0.59) ALDH1A1HPGDXDH
SCHEMBL31186416 0.70 ALDH1A1 (0.51) ALDH1A1HPGDTDP1
SCHEMBL356343 0.70 CNR2 (0.49) ALDH1A1HPGD

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 8 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
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 EP disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed
WO-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 WO disclosed
EP-3638235-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME Trevena, Inc. (US) 2020-04-22 EP disclosed
WO-2018231745-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. (US) 2018-12-20 WO 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 ALDH1A1 2583/4885HPGD 3374/4885AR 733/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 1143/4885HPGD 2590/4885AR 3441/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885HPGD 3374/4885AR 733/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885HPGD 3374/4885AR 733/4885

“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.