SCHEMBL5205202

SCHEMBL5205202

COc1cc(C(=O)O)cc(OC)c1OCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
PKM P14618 2/20 0.51
CA3 P07451 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 1/20 0.49
TSHR P16473 2/20 0.46
CNR2 P34972 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
SCHEMBL3545381 0.91 TPMT (0.55) TPMTCA12CA1CA2CA4
SCHEMBL8161835 0.88 L3MBTL1 (0.49) TPMTCA12CA1CA2CA4
SCHEMBL5204737 0.86 TSHR (0.51) TPMTCA12CA1CA2CA7
SCHEMBL15350009 0.81 TSHR (0.68) TPMTCA12CA1CA2CA4
SCHEMBL4281564 0.81 CA12 (0.65) TPMTCA12CA1CA2CA4
SCHEMBL8638411 0.80 TPMT (0.66) TPMTCA12CA1CA2CA4
SCHEMBL17874346 0.80 TPMT (0.61) TPMTCA12CA1CA2CA4
SCHEMBL2718882 0.79 L3MBTL1 (0.51) TPMTCA12CA1CA2CA4
SCHEMBL12433001 0.79 RXRA (0.56) TPMTL3MBTL1POLBHSD17B10TDP1
SCHEMBL10350523 0.78 ALDH1A1 (0.53) TPMTCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-6890940-B2 Bis(2-aryl-5-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-10 US disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy KOWA CO., LTD. (JP) 2003-01-30 US 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-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy IGLV6-57, IL5, IGSF11 TPMT 326/4885CA12 4359/4885CA1 4674/4885

“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.