SCHEMBL2623665

SCHEMBL2623665

CCC(C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
KDM4E B2RXH2 4/20 0.60
GAA P10253 3/20 0.60
APOBEC3G Q9HC16 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 2/20 0.59
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
PPARG P37231 1/20 0.48
ALOX12 P18054 1/20 0.47

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
SCHEMBL819451 0.84 MAPK1 (0.62) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL12570449 0.79 MAPT (0.69) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL31252486 0.77 MAPK1 (0.56) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL863061 0.75 MAPK1 (0.68) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL12132459 0.74 ALDH1A1 (0.58) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL13949767 0.74 POLB (0.68) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL21037164 0.73 MAPT (0.53) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL27592567 0.73 MAPK1 (0.70) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL7180056 0.73 MAPK1 (0.70) MAPTKDM4EGAAAPOBEC3GNPSR1
SCHEMBL23259094 0.73 ALDH1A1 (0.71) MAPTKDM4EGAAAPOBEC3GNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 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 (2 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-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 MAPT 2637/4885KDM4E 3962/4885GAA 1293/4885
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS MAPT 3107/4885KDM4E 2391/4885GAA 1773/4885

“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.