SCHEMBL2635680

SCHEMBL2635680

COc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCCC2(CCNC2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 4/20 0.42
GAA P10253 4/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPBWR1 P48145 1/20 0.39
ALPL P05186 1/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL2634893 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRKMT2AGAA
SCHEMBL2635599 0.86 MEN1 (0.43) ALDH1A1SMN1; SMN2TSHRKMT2AGAA
SCHEMBL2635468 0.86 MEN1 (0.46) ALDH1A1TSHRKMT2AMEN1RAB9A
SCHEMBL2635315 0.85 EPHX2 (0.45) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL2635278 0.83 EPHX2 (0.45) ALDH1A1TSHRKMT2AMEN1RAB9A
SCHEMBL2635557 0.83 MEN1 (0.50) ALDH1A1TSHRKMT2AMEN1RAB9A
SCHEMBL2635628 0.82 MEN1 (0.46) ALDH1A1TSHRKMT2AMEN1RAB9A
SCHEMBL2635794 0.81 ALDH1A1 (0.49) ALDH1A1TSHRKDM4EKMT2AGAA
SCHEMBL2634767 0.80 HTT (0.47) SMN1; SMN2KDM4EKMT2AGAAMEN1
SCHEMBL2634867 0.79 CYP3A4 (0.44) ALDH1A1SMN1; SMN2TSHRKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US claimed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US disclosed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 US disclosed
EP-2569317-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2013-03-20 EP disclosed
WO-2011141728-A1 SPIROCYCLIC DERIVATIVES WITH AFFINITY FOR CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-11-17 WO 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-20130109711-A1 NOVEL COMPOUNDS TRPV2, CACNA1C, CACNA1B ALDH1A1 3342/4885SMN1; SMN2 826/4885TSHR 4127/4885

“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.