SCHEMBL12373712

SCHEMBL12373712

CCn1c(C(C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cnc1Oc1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.43
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL12373517 0.87 S1PR1 (0.44) ALDH1A1TSHRCYP2C19KMT2A
SCHEMBL12373690 0.85 S1PR1 (0.41) PKMPOLB
SCHEMBL12373648 0.84 S1PR1 (0.40) PKM
SCHEMBL4119410 0.84 CNR1 (0.47) ALDH1A1POLB
SCHEMBL12373619 0.84 S1PR1 (0.48) PKM
SCHEMBL12373566 0.84 S1PR1 (0.40) ALDH1A1PKMCYP2C19KDM4E
SCHEMBL12373503 0.84 CYSLTR1 (0.43) ALDH1A1
SCHEMBL2278141 0.84 S1PR1 (0.48) ALDH1A1SMN1; SMN2CYP2C19KMT2A
SCHEMBL12373489 0.84 LMNA (0.43) ALDH1A1LMNATSHRMAPK1MEN1
SCHEMBL12373523 0.83 KMT2A (0.40) ALDH1A1LMNASMN1; SMN2PKMKMT2A

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 ALDH1A1 2969/4885LMNA 3437/4885SMN1; SMN2 3091/4885

“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.