SCHEMBL3987763

SCHEMBL3987763

CC(=O)Nc1ccc(C(C)C)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 2/20 0.46
MAPT P10636 5/20 0.46
RECQL P46063 1/20 0.46
SORT1 Q99523 1/20 0.46
POLB P06746 2/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
PTPN1 P18031 2/20 0.41
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
PTPRE P23469 1/20 0.41
PTPN6 P29350 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL13524630 0.84 RXRA (0.57) KDM4EHSD17B10MAPTSORT1POLB
SCHEMBL22628682 0.82 NPC1 (0.47) KDM4EHSD17B10ALDH1A1MAPTPOLB
SCHEMBL12190515 0.79 ALDH1A1 (0.52) ALDH1A1MAPTPOLBRAB9ANPC1
SCHEMBL6836151 0.79 MAPT (0.62) KDM4EALDH1A1MAPTPOLBCYP2C19
SCHEMBL8478429 0.79 RXFP1 (0.41) KDM4EHSD17B10ALDH1A1MAPTRECQL
SCHEMBL10489912 0.79 CYP1A2 (0.54) HSD17B10ALDH1A1MAPTSORT1CYP2C19
SCHEMBL31451940 0.79 KDM4E (0.69) KDM4EHSD17B10ALDH1A1MAPTPOLB
SCHEMBL8533041 0.79 KDM4E (0.69) KDM4EHSD17B10ALDH1A1MAPTPOLB
SCHEMBL3983979 0.78 CA1 (0.55) ALDH1A1MAPTPOLBRAB9ANPC1
SCHEMBL10620579 0.78 CA1 (0.54) KDM4EHSD17B10ALDH1A1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017524-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS THE BROAD INSTITUTE, INC. (US) 2022-01-20 US disclosed
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
US-20040068012-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-04-08 US disclosed
EP-0034292-B1 PROCESS FOR THE PREPARATION OF ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed
EP-0034292-A2 Process for the preparation of anthranilic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-26 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 (4 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 KDM4E 2363/4885HSD17B10 3758/4885ALDH1A1 3463/4885
US-20040068012-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP KDM4E 2363/4885HSD17B10 3758/4885ALDH1A1 3463/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP KDM4E 2363/4885HSD17B10 3758/4885ALDH1A1 3463/4885
US-20220017524-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS AHR, ESRRA, AR KDM4E 2990/4885HSD17B10 1044/4885ALDH1A1 395/4885

“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.