SCHEMBL3988441

SCHEMBL3988441

Cc1c(Br)ccc(NC(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.38
ELANE P08246 1/20 0.38
CTRB1 P17538 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
CISD2 Q8N5K1 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP17A1 P05093 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL25026467 0.88 MEN1 (0.44) BRD9ELANECTRB1NPC1RAB9A
SCHEMBL3983959 0.84 ATR (0.38) BRD9NPC1RAB9AMEN1KMT2A
SCHEMBL28210980 0.84 BRD9 (0.39) BRD9ELANECTRB1MEN1KMT2A
SCHEMBL3979308 0.83 MEN1 (0.36) BRD9NPC1RAB9AMEN1KMT2A
SCHEMBL3986782 0.82 METAP2 (0.47) BRD9ELANECTRB1SMN1; SMN2CYP17A1
SCHEMBL3982675 0.81 RAB9A (0.46) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL29197070 0.80 MAPT (0.37) BRD9NPC1RAB9AMEN1KMT2A
SCHEMBL28740739 0.79 ELANE (0.41) BRD9ELANECTRB1MEN1KMT2A
SCHEMBL34473354 0.79 ATR (0.40) BRD9ELANECTRB1NPC1RAB9A
SCHEMBL23000604 0.78 HDAC1 (0.38) BRD9ELANECTRB1MEN1KMT2A

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 BRD9 1390/4885ELANE 376/4885CTRB1 1160/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP BRD9 1390/4885ELANE 376/4885CTRB1 1160/4885

“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.