SCHEMBL2998236

SCHEMBL2998236

COc1ccc(CNC(C(=O)O)C(=O)O)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.59
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4C Q9H3R0 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CD274 Q9NZQ7 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL29589384 0.87 CD274 (0.61) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL29589093 0.87 CD274 (0.61) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL28662643 0.85 APLNR (0.55) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL28662641 0.85 APLNR (0.55) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL2564115 0.85 APLNR (0.55) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL29233269 0.83 TAS1R3 (0.54) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL13402596 0.81 APLNR (0.58) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL24399602 0.80 APLNR (0.65) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL2261220 0.80 APLNR (0.65) APLNRTAS1R3TAS1R1MEN1KMT2A
SCHEMBL2490342 0.80 APLNR (0.56) APLNRTAS1R3TAS1R1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
EP-0290280-B1 Anti-tumor platinum complexes, their preparation and their therapeutic use SANKYO CO (JP) 1994-01-19 EP disclosed
US-4541955-A Azetidinone-4-carboxylate containing a protected 3-acetyl group and process for their preparation RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1985-09-17 US disclosed
US-4434099-A Beta-lactam compounds containing a protected C-acetyl group, process for their preparation and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-02-28 US disclosed
US-4432901-A CHEMICAL INTERMEDIATE FOR PENICIULINS, THIENAMYCINS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-02-21 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 (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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES APLNR 1310/4885TAS1R3 3417/4885TAS1R1 3608/4885

“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.