SCHEMBL454747

SCHEMBL454747

Cn1cc(S(=O)(=O)OCc2ccccc2)nc1C(Nc1ccc(-c2ccccc2)cc1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.35
F2 P00734 3/20 0.35
F10 P00742 3/20 0.35
F3 P13726 3/20 0.35
GHSR Q92847 2/20 0.34
CYP19A1 P11511 1/20 0.34
NPC1 O15118 2/20 0.34
AR P10275 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
LTA4H P09960 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL4894235 0.69 TAAR1 (0.45)
SCHEMBL4896325 0.67 FNTA (0.43)
SCHEMBL303821 0.62 LMNA (0.58) CA1CA2CA9
Hydrochloric Acid SCHEMBL6738405 0.61 ALDH1A1 (0.50) HPGD
SCHEMBL2635791 0.60 CA2 (0.45) NPC1ARRAB9ASMN1; SMN2HPGD
SCHEMBL4527537 0.59 ROCK2 (0.54) HPGDS
SCHEMBL16213019 0.58 LMNA (0.48) NPC1ARRAB9ACA12CA1
Sulfamic Acid Benzyl Ester SCHEMBL26965439 0.58 CA2 (0.79) CA12CA1CA2CA9
SCHEMBL6286312 0.57 IDO1 (0.52) CYP19A1MMP13CA1CA2CA9
SCHEMBL8874637 0.57 CA1 (0.54) RAB9ASMN1; SMN2CA12CA1CA2

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-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 US disclosed
WO-2012034038-A2 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-03-15 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-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 F7 3067/4885F2 580/4885F10 1569/4885

“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.