SCHEMBL5637591

SCHEMBL5637591

COc1ccc(C(=O)NC(C)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.58
CA1 P00915 5/20 0.58
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
PLK1 P53350 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 2/20 0.55
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
RAB9A P51151 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL9829827 1.00 CA2 (0.58) CA2CA1TAS1R3TAS1R1PLK1
SCHEMBL24555259 0.94 CA2 (0.52) CA2CA1TAS1R3TAS1R1PLK1
SCHEMBL11103438 0.87 CA2 (0.71) CA2CA1SMN1; SMN2ALDH1A1NPC1
SCHEMBL11103451 0.87 CA2 (0.71) CA2CA1SMN1; SMN2ALDH1A1NPC1
SCHEMBL21952784 0.86 TAS1R3 (0.58) CA2CA1TAS1R3TAS1R1PLK1
SCHEMBL5639560 0.86 TAS1R3 (0.58) CA2CA1TAS1R3TAS1R1PLK1
SCHEMBL8330051 0.85 CA1 (0.66) CA2CA1TAS1R3TAS1R1PLK1
SCHEMBL5193372 0.84 TAS1R3 (0.59) CA2CA1TAS1R3TAS1R1PLK1
SCHEMBL8722080 0.83 MMP2 (0.55) CA2CA1SMN1; SMN2ALDH1A1NPC1
SCHEMBL5838728 0.83 NPSR1 (0.71) CA2CA1TAS1R3TAS1R1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER L-Base Co., Ltd. (KR) 2023-05-25 US disclosed
CN-101227885-A Wrinkle preventing/improving agent SHISEIDO CO LTD (JP) 2008-07-23 CN disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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 (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-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER VIP, QPCT, TPT1 CA2 3425/4885CA1 2893/4885TAS1R3 4137/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R CA2 1419/4885CA1 4138/4885TAS1R3 1486/4885

“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.