SCHEMBL12373743

SCHEMBL12373743

CCn1c(C(C)NS(=O)(=O)c2cccc(C(C)=O)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 2/20 0.39
RAB9A P51151 1/20 0.39
ADAMTS4 O75173 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 5/20 0.37
P2RX3 P56373 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP13 P45452 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL12373752 0.89 KMT2A (0.37) AKR1C3RAB9APOLBKMT2AALDH1A1
SCHEMBL12373462 0.89 ADAMTS4 (0.43) HSD17B10RAB9AADAMTS4KMT2AALDH1A1
SCHEMBL12373523 0.89 KMT2A (0.40) SMN1; SMN2KMT2AALDH1A1PKMLMNA
SCHEMBL12373552 0.87 PGR (0.44) ALDH1A1PKMS1PR1S1PR3
SCHEMBL12373463 0.87 MMP13 (0.41) SMN1; SMN2ALDH1A1MMP9MMP13S1PR1
SCHEMBL12373651 0.87 KDM2B (0.40) SMN1; SMN2P2RX3MMP13S1PR1S1PR3
SCHEMBL12373593 0.86 S1PR1 (0.46) KMT2AALDH1A1PKMS1PR1S1PR3
SCHEMBL12373469 0.86 PGR (0.41) SMN1; SMN2ADAMTS4KMT2AHTTMMP13
SCHEMBL12373634 0.86 PGR (0.41) ADAMTS4MMP2MMP9NPSR1MMP13
SCHEMBL12373517 0.85 S1PR1 (0.44) KMT2AALDH1A1MMP13S1PR1S1PR3

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 SMN1; SMN2 3091/4885HSD17B10 2218/4885AKR1C3 92/4885

“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.