SCHEMBL3986782

SCHEMBL3986782

CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.47
CYP17A1 P05093 2/20 0.38
CNR2 P34972 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ELANE P08246 1/20 0.37
CTRB1 P17538 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KCNQ4 P56696 2/20 0.36
KCNQ5 Q9NR82 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28210980 0.83 BRD9 (0.39) CYP17A1BRD9PPARGELANECTRB1
SCHEMBL3988441 0.82 BRD9 (0.38) CYP17A1BRD9ELANECTRB1CA12
SCHEMBL28740739 0.78 ELANE (0.41) METAP2CYP17A1BRD9ELANECTRB1
SCHEMBL6181078 0.77 RXFP1 (0.38) CYP17A1CNR2BRD9CYP1A2CYP2C9
SCHEMBL23093071 0.77 METAP2 (0.42) METAP2CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL20670519 0.77 CYP17A1 (0.41) CYP17A1CNR2PPARGPPARACYP1A2
SCHEMBL23000604 0.77 HDAC1 (0.38) CYP17A1CNR2BRD9ELANECTRB1
SCHEMBL15440643 0.76 CA12 (0.47) CNR2CYP1A2CYP2C9CYP2C19KCNQ4
SCHEMBL6395566 0.76 CISD2 (0.40) CYP17A1BRD9ELANECTRB1CA12
SCHEMBL3984461 0.75 KDM4E (0.51) BRD9

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-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP METAP2 1/4885CYP17A1 4561/4885CNR2 2407/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP METAP2 1/4885CYP17A1 4561/4885CNR2 2407/4885

“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.