SCHEMBL12373531

SCHEMBL12373531

CCn1c(C(C)NS(=O)(=O)c2c(C)nn(C)c2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.40
PROKR1 Q8TCW9 2/20 0.40
ACLY P53396 2/20 0.38
S1PR1 P21453 3/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SGK1 O00141 2/20 0.34
HTR6 P50406 1/20 0.34
S1PR3 Q99500 1/20 0.34
P2RX3 P56373 1/20 0.34

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
SCHEMBL12373536 0.91 TSHR (0.40) FPR2PROKR1LMNAGAAMAPT
SCHEMBL12373488 0.86 S1PR1 (0.39) S1PR1LMNAS1PR3P2RX3
SCHEMBL12373563 0.85 S1PR1 (0.35) S1PR1S1PR3P2RX3
SCHEMBL12373545 0.85 NR3C1 (0.39) S1PR1S1PR3P2RX3
SCHEMBL12373579 0.85 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL12373542 0.85 KDM4E (0.37) S1PR1L3MBTL1S1PR3P2RX3
SCHEMBL12373637 0.84 NR3C1 (0.41) S1PR1CYP3A4S1PR3P2RX3
SCHEMBL12373515 0.84 S1PR1 (0.36) S1PR1ALDH1A1SMN1; SMN2HTTS1PR3
SCHEMBL12373686 0.83 S1PR1 (0.37) S1PR1ALDH1A1SMN1; SMN2S1PR3P2RX3
SCHEMBL12373517 0.83 S1PR1 (0.44) S1PR1ALDH1A1S1PR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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 (1 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 FPR2 273/4885PROKR1 916/4885ACLY 4288/4885

“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.