SCHEMBL7096522

SCHEMBL7096522

O=C(NCC(O)C(=O)O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
GAA P10253 2/20 0.59
EPHX2 P34913 1/20 0.51
BACE1 P56817 1/20 0.51
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ITGAV P06756 5/20 0.48
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
MAPT P10636 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
HDAC3 O15379 1/20 0.47
CA12 O43570 1/20 0.47

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
Benzene SCHEMBL8722272 1.00 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL7561649 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL12326089 0.81 PLK1 (0.54) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL2647552 0.81 EPHX2 (0.48) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL2647548 0.81 EPHX2 (0.48) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL20392869 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL8507006 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL3377096 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL8506869 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL24324149 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682660-B1 SYNTHESIS OF TAXOL, ANALOGS AND INTERMEDIATES WITH VARIABLE A-RING SIDE CHAINS BRYN MAWR COLLEGE (US) 2003-11-05 EP disclosed
US-6509484-B2 Trifluoroacetic acid amine salt taxane derivatives useful for taxol production NAPRO BIOTHERAPEUTICS, INC. 2003-01-21 US disclosed
EP-1260507-A1 Synthesis of taxol, analogs and intermediates with variable A-nng side chains BRYN MAWR COLLEGE (US) 2002-11-27 EP disclosed
US-20020052517-A1 Synthesis of taxol, taxol analogs and their intermediates with variable a-ring side chain structures and compositions thereof SWINDELL CHARLES S (US) 2002-05-02 US disclosed
US-6307088-B1 O-HYDROCARBYL N-(1-SUBSTITUTED-2-ALKOXYCARBONYL-2-(OPTIONALLY PROTECTED HYDROXY)ETHYL)CARBAMATE NAPRO BIOTHERAPEUTICS, INC. 2001-10-23 US disclosed
US-6262281-B1 ANTICANCER AGENT BRYN MAWR COLLEGE 2001-07-17 US disclosed
CN-1284501-A Compound for synthetic taxol, taxol analog and intermediate BILEYMORE COLLEGE (US) 2001-02-21 CN disclosed
US-6072060-A Synthesis of taxol, taxol analogs and their intermediates with variable A-ring side chain structures and compositions thereof BRYN MAWR COLLEGE (US) 2000-06-06 US disclosed
US-5939566-A ESTERIFICATION OF TAXANE WITH CARBAMOYL ACID DERIVATIVE BRYN MAWR COLLEGE (US) 1999-08-17 US disclosed
US-5770745-A CHEMICAL CONDENSATION OF ESTERIFICATION BRYN MAWR COLLEGE (US) 1998-06-23 US disclosed
EP-0682660-A4 1995-12-20 EP disclosed
EP-0682660-A1 SYNTHESIS OF TAXOL, ANALOGS AND INTERMEDIATES WITH VARIABLE A-RING SIDE CHAINS BRYN MAWR COLLEGE (US) 1995-11-22 EP disclosed
CN-1102829-A Synthesis of taxol, taxol analogs and intermediates thereof and compositions thereof BRYN MAWR COLLEGE (US) 1995-05-24 CN disclosed
WO-1994018186-A1 SYNTHESIS OF TAXOL, ANALOGS AND INTERMEDIATES WITH VARIABLE A-RING SIDE CHAINS BRYN MAWR COLLEGE (US) 1994-08-18 WO disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP 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-20020052517-A1 Synthesis of taxol, taxol analogs and their intermediates with variable a-ring side chain structures and compositions thereof TUBA1A, TUBB1, TUBA1C NPC1 1589/4885RAB9A 3002/4885SMN1; SMN2 2371/4885

“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.