SCHEMBL274394

SCHEMBL274394

Nc1ccc(N2CCS(O)(O)CC2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 3/20 0.43
POLB P06746 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
NR1H2 P55055 1/20 0.43
KDM4E B2RXH2 3/20 0.39
RAD52 P43351 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 2/20 0.38
HTT P42858 2/20 0.38
ALOX15 P16050 1/20 0.38
YWHAG P61981 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 3/20 0.37

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
SCHEMBL274395 0.85 MAPT (0.53) MAPTSMN1; SMN2TP53GAAPOLB
SCHEMBL78966 0.82 ALDH1A1 (0.56) MAPTSMN1; SMN2TP53GAAPOLB
SCHEMBL880662 0.81 MAPT (0.59) MAPTSMN1; SMN2TP53GAAPOLB
SCHEMBL29959068 0.81 MAPT (0.59) MAPTSMN1; SMN2TP53GAAPOLB
SCHEMBL25194643 0.81 ALDH1A1 (0.59) MAPTSMN1; SMN2TP53GAAPOLB
SCHEMBL1929368 0.81 ALDH1A1 (0.59) MAPTSMN1; SMN2TP53GAAPOLB
SCHEMBL30336413 0.81 ALDH1A1 (0.59) MAPTSMN1; SMN2TP53GAAPOLB
SCHEMBL3309681 0.80 ALDH1A1 (0.47) GAAKDM4EALDH1A1HSD17B10SLC9A1
SCHEMBL2255149 0.80 MAPT (0.58) MAPTSMN1; SMN2GAAPOLBTSHR
SCHEMBL31210319 0.78 MAPT (0.61) MAPTSMN1; SMN2TP53GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US disclosed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 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 (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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS MAPT 2737/4885SMN1; SMN2 1447/4885TP53 1069/4885
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF MAPT 2960/4885SMN1; SMN2 2931/4885TP53 670/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 MAPT 2587/4885SMN1; SMN2 3866/4885TP53 1076/4885

“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.