SCHEMBL30355464

SCHEMBL30355464

COc1ccccc1-c1cnc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
S1PR1 P21453 6/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41

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
SCHEMBL23523762 1.00 PGR (0.48) PGRARS1PR1PDGFRBPDGFRA
SCHEMBL30355573 0.82 AR (0.46) PGRARS1PR1PDGFRBPDGFRA
SCHEMBL23524056 0.82 AR (0.46) PGRARS1PR1PDGFRBPDGFRA
SCHEMBL23524062 0.80 XDH (0.61) PGRARS1PR1
SCHEMBL30355410 0.80 XDH (0.61) PGRARS1PR1
SCHEMBL23523841 0.79 AAK1 (0.51) S1PR1RXRARXRBRXRGAAK1
SCHEMBL30355696 0.79 AAK1 (0.51) S1PR1RXRARXRBRXRGAAK1
SCHEMBL2413133 0.77 S1PR1 (0.47) S1PR1RXRARXRBRXRGCTSS
SCHEMBL12320821 0.74 S1PR1 (0.39) S1PR1RXRARXRBRXRGAAK1
SCHEMBL2411321 0.73 S1PR1 (0.52) S1PR1RXRARXRBRXRG

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PGR 1551/4885AR 733/4885S1PR1 1/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PGR 3364/4885AR 3441/4885S1PR1 1/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PGR 1551/4885AR 733/4885S1PR1 1/4885

“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.