SCHEMBL3694576

SCHEMBL3694576

CC(C)(C)OC(=O)CCc1cc(F)cc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
STING1 Q86WV6 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
AKR1B1 P15121 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL15378035 0.85 MTNR1A (0.45) MTNR1AMTNR1BCYP4F2CYP4A11AAK1
SCHEMBL3693498 0.82 MTNR1A (0.35) MTNR1AMTNR1BSTING1CYP4F2CYP4A11
SCHEMBL17823107 0.79 CA1 (0.42) AAK1CTSSCTSKCTSB
SCHEMBL902744 0.78 L3MBTL1 (0.47) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL16048629 0.77 MTNR1A (0.40) MTNR1AMTNR1BSTING1HDAC8
SCHEMBL1249462 0.76 STS (0.39) MTNR1AMTNR1BSTING1HDAC8THRA
SCHEMBL27568560 0.76 FFAR1 (0.46) CYP4F2CYP4A11FFAR1FFAR4CTSS
SCHEMBL557661 0.76 IDO1 (0.47) CYP4F2CYP4A11FFAR1FFAR4CTSS
SCHEMBL34471236 0.76 FFAR1 (0.46) AKR1B1FFAR1FFAR4ESR1NR3C1
SCHEMBL25254942 0.76 MTNR1A (0.39) MTNR1AMTNR1BSTING1HDAC8FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO 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-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 MTNR1A 204/4885MTNR1B 164/4885STING1 2893/4885
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 MTNR1A 2043/4885MTNR1B 1900/4885STING1 4424/4885
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB MTNR1A 2124/4885MTNR1B 966/4885STING1 4302/4885

“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.