SCHEMBL1937236

SCHEMBL1937236

O=c1c2ccc(OS(=O)(=O)C(F)(F)F)cc2oc2cc(N3CCCCC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.43
HSD11B1 P28845 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
STS P08842 8/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP19A1 P11511 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL30301334 0.84 HSD11B1 (0.51) HSD11B1LMNASMN1; SMN2STSCA12
SCHEMBL1938706 0.84 HSD11B1 (0.51) HSD11B1LMNASMN1; SMN2STSCA12
SCHEMBL1937493 0.81 HSD17B10 (0.51) XDHLMNAMAPK1HTTALDH1A1
SCHEMBL1937101 0.80 HSD17B10 (0.53) XDHLMNAALDH1A1
SCHEMBL32677438 0.80 HSD17B10 (0.53) XDHLMNAALDH1A1
SCHEMBL17099790 0.79 LMNA (0.48) HSD11B1LMNASMN1; SMN2MAPK1HTT
SCHEMBL30480094 0.79 LMNA (0.48) HSD11B1LMNASMN1; SMN2MAPK1HTT
SCHEMBL10054976 0.78 MAOA (0.61) XDHHSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL25107807 0.77 HSD17B10 (0.49) XDHSMN1; SMN2ALDH1A1
SCHEMBL12268389 0.77 HSD11B1 (0.48) HSD11B1LMNASMN1; SMN2STSCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212955-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER CANCER RESEARCH INITIATIVES FOUNDATION (MY) 2011-09-01 US disclosed
EP-2331520-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER Cancer Research Initiative Foundation (MY) 2011-06-15 EP disclosed
WO-2010033011-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER CANCER RESEARCH INITIATIVES FOUNDATION (MY) 2010-03-25 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-20110212955-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER LTB4R, LTB4R2, NR1H3 XDH 997/4885HSD11B1 336/4885LMNA 2105/4885

“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.