SCHEMBL12373589

SCHEMBL12373589

CCn1c(C(C)NS(=O)(=O)c2ccc(F)cc2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 1/20 0.40
BMP1 P13497 1/20 0.36
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
PIK3CA P42336 5/20 0.34
CNR1 P21554 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
ADAM17 P78536 1/20 0.33
P2RX7 Q99572 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL12373677 0.91 NR3C1 (0.36) S1PR1S1PR3TP53MAPTCNR1
SCHEMBL12373584 0.91 KAT6A (0.40) S1PR1S1PR3TP53MAPTPIK3CA
SCHEMBL12373581 0.91 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL12373597 0.90 S1PR1 (0.40) S1PR1S1PR3ALDH1A1CNR1P2RX3
SCHEMBL12373616 0.90 S1PR1 (0.42) S1PR1S1PR3MAPTALDH1A1CNR1
SCHEMBL12373668 0.89 KMT2A (0.36) S1PR1S1PR3TP53MAPTCNR1
SCHEMBL12373684 0.89 S1PR1 (0.36) S1PR1S1PR3MAPTCNR1P2RX3
SCHEMBL12373565 0.89 TRIM24 (0.40) S1PR1S1PR3TP53MAPTALDH1A1
SCHEMBL12373611 0.89 KAT6A (0.40) S1PR1S1PR3TP53MAPTP2RX3
SCHEMBL12373514 0.89 PGR (0.39) S1PR1S1PR3MAPTALDH1A1CNR1

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 S1PR1 1/4885S1PR3 2/4885BMP1 1023/4885

“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.