SCHEMBL3055857

SCHEMBL3055857

CC(NC(=O)OC(C)(C)C)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
METAP1 P53582 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
ABCB1 P08183 2/20 0.41
NAMPT P43490 1/20 0.41
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL8220279 0.87 METAP1 (0.43) ALOX12ALOX15KMT2AMETAP1ABCB1
SCHEMBL7466599 0.86 ABCB1 (0.50) METAP1TSHRHSD17B10ABCB1TRPA1
SCHEMBL15676168 0.85 METAP1 (0.40) ALOX12ALOX15KMT2AMETAP1ABCB1
SCHEMBL9593998 0.84 METAP1 (0.42) ALOX12ALOX15NPC1RAB9AMETAP1
SCHEMBL2084864 0.80 L3MBTL1 (0.53) KMT2AMETAP1POLBGAACA1
SCHEMBL19318545 0.80 ALOX12 (0.47) ALOX12ALOX15NPC1RAB9AKMT2A
SCHEMBL19318589 0.80 ALOX12 (0.47) ALOX12ALOX15NPC1RAB9AKMT2A
SCHEMBL4185639 0.80 METAP1 (0.39) METAP1TSHRHSD17B10ABCB1TRPA1
SCHEMBL7309940 0.79 CA1 (0.44) ALOX12ALOX15METAP1ABCB1CA1
SCHEMBL7295320 0.79 CA1 (0.44) ALOX12ALOX15METAP1ABCB1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-7598258-B2 N- {4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluorophenyll-N'-[1-(1,3-thiazol-2-yl)ethyl]urea; osteoporosis, bone metastasis of malignant tumors including breast cancer, prostatic cancer, and lung cancer, multiple myeloma, osteoporosis, Behcet's disease, rheumatoid arthritis or other diseases KIRIN BEER KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
WO-2009050228-A2 CSF-1R INHIBITORS FOR TREATMENT OF CANCER AND BONE DISEASES NOVARTIS AG (CH) 2009-04-23 WO disclosed
US-20060235033-A1 Quinoline derivatives and quinazoline derivatives inhibiting autophosphorylation of macrophage colony stimulating factor receptor KIRIN BEER KABUSHIKI KAISHA (JP) 2006-10-19 US disclosed
EP-1535910-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF MACROPHAGE COLONY STIMULATING FACTOR RECEPTOR KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-01 EP 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 (2 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-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 ALOX12 1070/4885ALOX15 1018/4885NPC1 2134/4885
US-20060235033-A1 Quinoline derivatives and quinazoline derivatives inhibiting autophosphorylation of macrophage colony stimulating factor receptor CSF3R, CSF1R, MSR1 ALOX12 4654/4885ALOX15 4549/4885NPC1 3079/4885

“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.