SCHEMBL13624848

SCHEMBL13624848

COc1ccc(B(O)O)cc1OP(=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.32
INPPL1 O15357 1/20 0.32
INPP5A Q14642 1/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
TPMT P51580 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
IMPDH2 P12268 1/20 0.31

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
SCHEMBL13624850 0.78 L3MBTL1 (0.33) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL23114 0.76 ENPP2 (0.52) ENPP2CA1CA2CYP1A2CYP2C9
SCHEMBL27167193 0.75 ENPP2 (0.44) ENPP2CA1CA2CYP1A2CYP2C9
SCHEMBL28818319 0.72 ALDH1A1 (0.42) ENPP2CA1CA2CYP1A2CYP2C9
SCHEMBL29953216 0.69 ENPP2 (0.41) ENPP2CA1CA2CYP1A2CYP2C9
SCHEMBL29957263 0.69 TNFSF11 (0.51) ENPP2CA1CA2CYP1A2CYP2C9
SCHEMBL14721223 0.69 DRD2 (0.39) ENPP2CA1CA2CYP1A2CYP2C9
SCHEMBL31589662 0.68 LMNA (0.47) ENPP2CA1CA2CYP3A4TUBB4A
SCHEMBL27117359 0.68 LMNA (0.47) ENPP2CA1CA2CYP3A4TUBB4A
SCHEMBL5827712 0.68 LMNA (0.47) ENPP2CA1CA2CYP3A4TUBB4A

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-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7538252-B2 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-05-26 US disclosed
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 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 (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-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof TUBB, TUBA1C, TUBB1 ENPP2 4244/4885CA1 3386/4885CA2 2212/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 ENPP2 4244/4885CA1 3386/4885CA2 2212/4885

“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.