SCHEMBL11364366

SCHEMBL11364366

Cn1c(C#N)ccc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
CXCL8 P10145 1/20 0.46
AKR1B1 P15121 1/20 0.46
GLO1 Q04760 1/20 0.46
PGR P06401 11/20 0.44
AR P10275 7/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11380056 0.98 PTGS1 (0.45) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL30540310 0.84 PGR (0.43) PGRAR
SCHEMBL22366377 0.83 ALDH1A1 (0.43) PGRARKDM4EALDH1A1MAPT
SCHEMBL11380054 0.83 HPGD (0.46) PGRARALDH1A1HPGD
SCHEMBL11368034 0.83 HPGD (0.49) PGRARALDH1A1HPGD
SCHEMBL68487 0.80 PTGS2 (0.58) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL11371602 0.79 KDM4E (0.41) PTGS1PTGS2CXCL8AKR1B1GLO1
SCHEMBL6653296 0.77 AR (0.46) PGRAR
SCHEMBL11370743 0.77 PGR (0.41) PGRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12763830 0.75 AR (0.45) PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4246176-A Synthesis of 5-aroyl-1-hydrocarbylpyrrole-2-acetic acid ETHYL CORPORATION (US) 1981-01-20 US claimed
US-4238396-A REACTING THE 5-CYANO DERIVATIVE WITH A GRIGNARD REAGENT FOLLOWED BY HYDROLYSIS TO OBTAIN THE 5-ACYL SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-12-09 US claimed
JP-54081264-A None JP disclosed
JP-55087769-A None JP disclosed
US-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 US disclosed
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 EP disclosed
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2020-08-13 US disclosed
US-4246176-A Synthesis of 5-aroyl-1-hydrocarbylpyrrole-2-acetic acid ETHYL CORPORATION (US) 1981-01-20 US disclosed
US-4246175-A CYANATION OF 2,2,2-TRICHLORO-1-(N-HYDROCARBYLPYRRYL-2)-ETHANOL ETHYL CORPORATION (US) 1981-01-20 US disclosed
US-4238396-A REACTING THE 5-CYANO DERIVATIVE WITH A GRIGNARD REAGENT FOLLOWED BY HYDROLYSIS TO OBTAIN THE 5-ACYL SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-12-09 US disclosed
JP-S5587769-A PREPARATION OF PYRROLEACETIC ACID DERIVATIVE SAGAMI CHEM RES CENTER 1980-07-02 JP disclosed
WO-1979000357-A1 PROCESS FOR THE PRODUCTION OF 1-METHYL-5-ACROYLPYROL-2-ACETIC ACID SAGAMI CHEM RES (JP) 1979-06-28 WO disclosed
JP-S5481264-A PREPARATION OF 1-METHYL-5-AROYLPRYRROLE-2-ACETIC ACID SAGAMI CHEM RES CENTER 1979-06-28 JP 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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX PTGS1 452/4885PTGS2 841/4885CXCL8 2018/4885
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME C1R, RDX, F12 PTGS1 520/4885PTGS2 876/4885CXCL8 2619/4885

“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.