SCHEMBL5539635

SCHEMBL5539635

O=COCCSc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 1/20 0.56
FFAR1 O14842 1/20 0.42
NPC1 O15118 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
RECQL P46063 1/20 0.41
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL5543129 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1NPC1CYP1A2
SCHEMBL5543716 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1FFAR1NPC1CYP1A2
SCHEMBL5544649 0.85 HDAC1 (0.49) ALDH1A1MAPK1FFAR1NPC1CYP1A2
SCHEMBL5536601 0.85 HDAC1 (0.49) ALDH1A1MAPK1FFAR1NPC1CYP1A2
SCHEMBL13177017 0.83 GAA (0.44) ALDH1A1NPC1CYP1A2CYP2C19RAB9A
SCHEMBL23056401 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1FFAR1NPC1CYP1A2
SCHEMBL5540734 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1FFAR1NPC1CYP1A2
SCHEMBL6513576 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1NPC1CYP1A2CYP2C19
SCHEMBL3686710 0.79 ALDH1A1 (0.56) ALDH1A1MAPK1FFAR1NPC1CYP1A2
SCHEMBL6841221 0.76 HRH3 (0.43) CYP1A2CYP2D6CYP2C19CYP3A4DRD2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 US disclosed
EP-4011396-A1 RELEASABLE CONJUGATES QuiaPEG Pharmaceuticals AB (SE) 2022-06-15 EP disclosed
EP-3592393-B1 RELEASABLE CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2021-12-01 EP disclosed
CN-110545850-A Releasable conjugates QUIAPEG PHARMACEUTICALS AB 2019-12-06 CN disclosed
US-20180360974-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2018-12-20 US disclosed
WO-2018163131-A1 RELEASABLE CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2018-09-13 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-1999014189-A1 AMINO ACID DERIVATIVES HYUNDAI PHARM. IND. CO., LTD. (KR) 1999-03-25 WO disclosed
WO-1999014238-A1 PROCESS FOR THE PREPARATION OF CALCITONIN HYUNDAI PHARM. IND. CO., LTD. (KR) 1999-03-25 WO disclosed
US-5283341-A Catalytic alkylation NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-02-01 US disclosed
EP-0516982-A1 Process for producing a heterocyclic tertiary amine NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
US-4505913-A Substituted anthranilamides and pharmaceutical preparations containing these compounds CIBA-GEIGY CORPORATION (US) 1985-03-19 US disclosed
EP-0008072-B1 SUBSTITUTED ANTHRANILIC ACID AMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1984-02-22 EP disclosed
US-4214094-A ANTILIPEMIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-07-22 US disclosed
EP-0008072-A1 Substituted anthranilic acid amides, process for their preparation, pharmaceutical compositions containing them and their preparation CIBA-GEIGY AG (CH) 1980-02-20 EP disclosed
EP-0000644-A2 Lower cycloalkyl substituted-benzene derivatives, the preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-02-07 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 (3 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-20180360974-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 ALDH1A1 72/4885MAPK1 4622/4885FFAR1 1513/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 ALDH1A1 72/4885MAPK1 4622/4885FFAR1 1513/4885
US-11786599-B2 Releasable conjugates GUSB, ABCB11, UGT2B7 ALDH1A1 72/4885MAPK1 4622/4885FFAR1 1513/4885

“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.