SCHEMBL3562913

SCHEMBL3562913

CN1CCN(S(=O)(=O)c2ccc([C@@H](CC3CCCC3)C(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.67
AR P10275 1/20 0.49
ACP1 P24666 1/20 0.49
LMNA P02545 4/20 0.48
DYRK1A Q13627 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
USP2 O75604 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL2655678 1.00 GCK (0.67) GCKARACP1LMNADYRK1A
SCHEMBL2655003 0.88 GCK (0.71) GCKLMNASMN1; SMN2USP2ALDH1A1
SCHEMBL3562541 0.88 GCK (0.71) GCKLMNASMN1; SMN2USP2ALDH1A1
SCHEMBL27727396 0.87 GCK (0.52) GCKARACP1LMNADYRK1A
SCHEMBL3563432 0.87 GCK (0.70) GCKLMNASMN1; SMN2USP2ALDH1A1
SCHEMBL2655726 0.87 GCK (0.70) GCKLMNASMN1; SMN2USP2ALDH1A1
SCHEMBL2654741 0.86 GCK (0.69) GCKLMNASMN1; SMN2USP2ALDH1A1
SCHEMBL2654734 0.86 GCK (0.69) GCKLMNASMN1; SMN2USP2ALDH1A1
SCHEMBL2656073 0.86 GCK (0.67) GCKACP1LMNASMN1; SMN2USP2
SCHEMBL3560511 0.86 GCK (0.67) GCKACP1LMNASMN1; SMN2USP2

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-7795257-B2 Organic compounds NOVARTIS AG (CH) 2010-09-14 US claimed
US-20080318948-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-25 US claimed

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-20080318948-A1 Organic Compounds GCK, GCKR, SLC2A2 GCK 1/4885AR 3449/4885ACP1 2814/4885

“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.