SCHEMBL6744768

SCHEMBL6744768

CC(C)(C)COc1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
HTT P42858 1/20 0.34
RIPK1 Q13546 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL29408103 0.87 UGCG (0.39) SSTR4CA3CA6CA5ACA9
SCHEMBL18997072 0.85 MEN1 (0.43)
SCHEMBL18374087 0.83 CYP2C9 (0.45) SLC6A4HTTTDP1L3MBTL1
SCHEMBL28935348 0.82 MAPT (0.47) HTTL3MBTL1
SCHEMBL20206789 0.81 TRPV1 (0.41) CA9HTTTDP1L3MBTL1
SCHEMBL22508538 0.80 L3MBTL1 (0.52) SSTR4TDP1L3MBTL1
SCHEMBL26838274 0.79 NQO1 (0.42) HTTTDP1L3MBTL1
SCHEMBL20201498 0.79 ACHE (0.39) HTTL3MBTL1
SCHEMBL1539296 0.78 L3MBTL1 (0.53) HTTTDP1L3MBTL1
SCHEMBL20060388 0.76 MAOB (0.47) SSTR4HTTL3MBTL1

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-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 SSTR4 3240/4885HTR2A 3945/4885HTR2C 4300/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 SSTR4 920/4885HTR2A 3487/4885HTR2C 3950/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 SSTR4 3120/4885HTR2A 3908/4885HTR2C 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.