SCHEMBL1320504

SCHEMBL1320504

CC(C)(C)OC(=O)Nc1cccc2c(OB(O)O)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ METAP1 P53582 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL27839550 0.86 LMNA (0.44) RXFP1METAP1POLBLMNABRD9
SCHEMBL30793049 0.84 RXFP1 (0.43) RXFP1METAP1POLBLMNABRD9
SCHEMBL29953991 0.82 RXFP1 (0.43) RXFP1ALDH1A1HPGDMETAP1POLB
SCHEMBL12116536 0.82 RXFP1 (0.43) RXFP1ALDH1A1HPGDMETAP1POLB
SCHEMBL6241238 0.79 TRPV1 (0.50) RXFP1ALDH1A1HPGDPOLBGAA
SCHEMBL4689617 0.77 AAK1 (0.44) RXFP1ALDH1A1HPGDPOLBLMNA
SCHEMBL5367134 0.77 RXFP1 (0.50) RXFP1ALDH1A1HPGDMETAP1POLB
SCHEMBL2396852 0.77 ALDH1A1 (0.63) ALDH1A1HPGDGAAMEN1NPC1
SCHEMBL29951889 0.77 KMT2A (0.42) RXFP1ALDH1A1METAP1POLBLMNA
SCHEMBL2952822 0.76 MEN1 (0.42) RXFP1ALDH1A1HPGDMETAP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 RXFP1 256/4885ALDH1A1 49/4885HPGD 1273/4885

“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.

Send feedback