SCHEMBL3979669

SCHEMBL3979669

C=Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)OCc2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SYK P43405 1/20 0.41
CTSL P07711 1/20 0.39
KMT2A Q03164 2/20 0.39
ELANE P08246 1/20 0.38
CTRB1 P17538 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TGM2 P21980 1/20 0.38
BRD4 O60885 1/20 0.38
MAPT P10636 1/20 0.38
P2RX7 Q99572 1/20 0.37
PPARA Q07869 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL3982675 0.84 RAB9A (0.46) NPC1RAB9ASYKCTSLKMT2A
SCHEMBL3988273 0.81 RAB9A (0.44) NPC1RAB9ASYKCTSLKMT2A
SCHEMBL3987729 0.77 RAB9A (0.43) NPC1RAB9ASYKCTSLKMT2A
SCHEMBL3983331 0.76 METAP2 (0.50) NPC1RAB9AKMT2AMAPT
SCHEMBL12872990 0.76 ALDH1A1 (0.56) NPC1RAB9ASYKKMT2AMAPK1
SCHEMBL3987667 0.76 SYK (0.42) NPC1RAB9ASYKCTSLKMT2A
SCHEMBL20401090 0.75 RAB9A (0.54) NPC1RAB9ASYKKMT2ASMN1; SMN2
SCHEMBL3982385 0.74 METAP2 (0.69) MAPT
SCHEMBL31455060 0.73 NPC1 (0.55) NPC1RAB9ASYKKMT2AELANE
SCHEMBL12540641 0.72 MEN1 (0.43) NPC1RAB9AKMT2AELANECTRB1

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 5 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
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP 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
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 WO 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 NPC1 4400/4885RAB9A 3370/4885SYK 3438/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP NPC1 4400/4885RAB9A 3370/4885SYK 3438/4885

“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.