SCHEMBL309819

SCHEMBL309819

Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(C(=O)O)[C@@](C)(C(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
GBA1 P04062 1/20 0.38
SMPD1 P17405 1/20 0.38
EPHX2 P34913 2/20 0.38
CACNA1B Q00975 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
SCHEMBL308315 0.93 EPHX2 (0.45) IDH1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL308880 0.88 EPHX2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL309950 0.86 EPHX2 (0.47) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL309656 0.78 MMP1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1ATM
SCHEMBL308446 0.76 TRPV4 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1ATM
SCHEMBL1430100 0.76 TRPV4 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1ATM
SCHEMBL2831496 0.74 IDH1 (0.44) IDH1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL308426 0.71 TGM2 (0.53) IDH1MEN1KMT2AALDH1A1TSHR
SCHEMBL309818 0.71 IDH1 (0.41) IDH1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL309043 0.70 ALDH1A1 (0.68) IDH1SMN1; SMN2MEN1KMT2AALDH1A1

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-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
EP-2313413-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2011-04-27 EP disclosed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D IDH1 2988/4885SMN1; SMN2 809/4885MEN1 4136/4885

“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.