SCHEMBL3883372

SCHEMBL3883372

CC(=O)CCc1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.56
MTNR1B P49286 1/20 0.44
FFAR1 O14842 7/20 0.43
DGAT1 O75907 1/20 0.43
FFAR4 Q5NUL3 3/20 0.43
NPC1 O15118 1/20 0.43
PYCR1 P32322 1/20 0.42
CHRNA7 P36544 1/20 0.42
IAPP P10997 1/20 0.41
AKR1B1 P15121 1/20 0.40
P2RX7 Q99572 1/20 0.40
MAPT P10636 1/20 0.40
BMP1 P13497 1/20 0.40

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
SCHEMBL2130941 0.84 PDPK1 (0.61) PDPK1FFAR1FFAR4NPC1
SCHEMBL30437759 0.84 PDPK1 (0.61) PDPK1FFAR1FFAR4NPC1
SCHEMBL3515626 0.83 PDPK1 (0.56) PDPK1MTNR1BFFAR1DGAT1FFAR4
SCHEMBL26938435 0.83 PDPK1 (0.56) PDPK1MTNR1BFFAR1DGAT1FFAR4
SCHEMBL30488619 0.82 MAOB (0.53) FFAR1FFAR4CHRNA7IAPP
SCHEMBL21222818 0.82 MAOB (0.53) FFAR1FFAR4CHRNA7IAPP
SCHEMBL8444 0.82 DGAT1 (0.46) PDPK1MTNR1BDGAT1PYCR1AKR1B1
SCHEMBL2130306 0.82 PDPK1 (0.52) PDPK1MTNR1BNPC1AKR1B1P2RX7
SCHEMBL1404941 0.81 CHRNA7 (0.62) FFAR1FFAR4CHRNA7IAPP
SCHEMBL29837823 0.80 CYP4F2 (0.50) PDPK1MTNR1BFFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911643-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 EP disclosed
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed
EP-2970235-B1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2019-06-19 EP disclosed
US-9512115-B2 Inhibitors PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-9512115-B2 Inhibitors PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-20160031869-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-04 US disclosed
US-20160031869-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-04 US disclosed
WO-2014140279-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2014-09-18 WO disclosed
US-7553604-B2 Cyanine compound, optical recording material, and optical recording medium ADEKA CORPORATION (JP) 2009-06-30 US disclosed
EP-1505125-B1 Cyanine compound, optical recording material, and optical recording medium ADEKA CORP (JP) 2009-01-07 EP disclosed
US-20050031993-A1 Cyanine compound, optical recording material, and optical recording medium ASAHI DENKA CO., LTD. (JP) 2005-02-10 US disclosed
EP-1505125-A1 Cyanine compound, optical recording material, and optical recording medium Asahi Denka Co., Ltd. (JP) 2005-02-09 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-20160031869-A1 NOVEL INHIBITORS GLS, GLUL, QPCT PDPK1 1661/4885MTNR1B 3246/4885FFAR1 2805/4885
US-20050031993-A1 Cyanine compound, optical recording material, and optical recording medium CHRM1, KCNB1, KCNB2 PDPK1 3541/4885MTNR1B 368/4885FFAR1 3265/4885

“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.