SCHEMBL20587134

SCHEMBL20587134

N#Cc1cc(C(=O)O)ccc1NCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
PTGER4 P35408 1/20 0.44
KDM4C Q9H3R0 3/20 0.44
CREBBP Q92793 3/20 0.43
HCAR3 P49019 2/20 0.43
XDH P47989 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CNR2 P34972 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
VNN1 O95497 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL29673306 1.00 LIPC (0.47) LIPCLIPGPTGER4KDM4CCREBBP
SCHEMBL15774700 0.78 PTGER4 (0.67) LIPCLIPGPTGER4KDM4CCREBBP
SCHEMBL3453438 0.78 XDH (0.62) KDM4CXDHKDM4E
SCHEMBL3452643 0.77 XDH (0.61) KDM4CXDHKDM4E
SCHEMBL25867667 0.76 JAK2 (0.38) LIPCLIPGPTGER4KDM4CLRRK2
SCHEMBL23084647 0.76 ALDH1A1 (0.46) XDHALDH1A1HPGDABCC9ABCC8
SCHEMBL26988652 0.74 HCAR3 (0.51) HCAR3XDHALDH1A1HPGDABCC9
SCHEMBL26988048 0.74 PTGER4 (0.65) PTGER4HCAR3XDHALDH1A1HPGD
SCHEMBL4081385 0.73 LIPC (0.48) LIPCLIPGPTGER4KDM4CCREBBP
SCHEMBL2425635 0.73 HSP90AA1 (0.52) LIPCLIPGPTGER4KDM4CCREBBP

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 14 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-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-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
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 CN disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US 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
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
CN-110831593-A Compounds for modulating S1P1 activity and methods of use thereof 特维娜有限公司 2020-02-21 CN 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 LIPC 1072/4885LIPG 248/4885PTGER4 737/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 LIPC 858/4885LIPG 1339/4885PTGER4 788/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 LIPC 1072/4885LIPG 248/4885PTGER4 737/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 LIPC 1072/4885LIPG 248/4885PTGER4 737/4885

“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.