SCHEMBL988896

SCHEMBL988896

OCc1cc(-c2ccccc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
HDAC6 Q9UBN7 1/20 0.43
NOTUM Q6P988 3/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2A6 P11509 1/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP12 P39900 2/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
CNR1 P21554 1/20 0.36
PRKCI P41743 1/20 0.36
TDO2 P48775 1/20 0.36
DAO P14920 1/20 0.36
S1PR1 P21453 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL31438027 0.80 CYP3A4 (0.42) CYP11B1CYP11B2NPC1RAB9AALDH1A1
SCHEMBL9387335 0.80 RAB9A (0.42) HDAC6NPC1RAB9AALDH1A1HSD17B1
SCHEMBL987523 0.79 CYP11B1 (0.49) CYP11B1CYP11B2HDAC6NOTUMNPC1
SCHEMBL6375451 0.79 CYP11B1 (0.49) CYP11B1CYP11B2HDAC6NOTUMNPC1
SCHEMBL12531530 0.79 CYP11B1 (0.49) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL10899166 0.79 PTGS1 (0.50) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL2600215 0.76 ALDH1A1 (0.50) CYP11B1CYP11B2HDAC6NPC1RAB9A
SCHEMBL9454086 0.76 CYP2A6 (0.42) CYP11B1CYP11B2CYP2A6
SCHEMBL20604117 0.76 FFAR1 (0.53) CYP11B1CYP11B2HDAC6RAB9AALDH1A1
SCHEMBL38655961 0.76 CNR1 (0.42) NPC1RAB9AALDH1A1CNR1

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-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
CN-102026961-A Amide compound ASTELLAS PHARMA INC 2011-04-20 CN disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 US disclosed
EP-0032432-B1 PROSTANOID COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (GB) 1985-07-24 EP disclosed
US-4438111-A PROSTAGLANDINS, ANTICOAGULANTS, ANTIASTHMA GLAXO GROUP LIMITED (GB) 1984-03-20 US disclosed
US-4327092-A USEFUL AS ANTICOAGULANTS AND ANTI-HISTAMINES GLAXO GROUP LIMITED (GB) 1982-04-27 US disclosed
EP-0032432-A1 Prostanoid compounds and their preparation and pharmaceutical formulations GLAXO GROUP LIMITED (GB) 1981-07-22 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 CYP11B1 80/4885CYP11B2 50/4885HDAC6 4524/4885
US-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 CYP11B1 3162/4885CYP11B2 2632/4885HDAC6 1766/4885

“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.