SCHEMBL1590732

SCHEMBL1590732

CC(C(=O)O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.72
AKR1C2 P52895 14/20 0.72
APP P05067 2/20 0.54
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
AKR1C4 P17516 1/20 0.52
AKR1C1 Q04828 1/20 0.52
CHRM1 P11229 1/20 0.48
PTGS1 P23219 1/20 0.48
KDR P35968 1/20 0.47
PDK1 Q15118 1/20 0.47

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
SCHEMBL27782035 0.89 AKR1C3 (0.58) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL29009950 0.87 AKR1C3 (0.64) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL30428628 0.85 AKR1C3 (0.64) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL23070581 0.84 AKR1C3 (1.00) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL1781777 0.83 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL1567845 0.82 AKR1C3 (0.63) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL11270744 0.81 AKR1C3 (0.59) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL29009770 0.81 AKR1C3 (0.59) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL24281943 0.80 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C4AKR1C1KDR
SCHEMBL5123820 0.80 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C4AKR1C1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-12-27 US disclosed
CN-104955454-B Chemokine receptor anagonists 凯莫森特里克斯股份有限公司 2018-06-29 CN disclosed
EP-2888261-B1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX INC (US) 2018-04-18 EP disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 EP disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 US 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 (5 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-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 AKR1C3 717/4885AKR1C2 1470/4885APP 4354/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI AKR1C3 3322/4885AKR1C2 2975/4885APP 99/4885
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 AKR1C3 717/4885AKR1C2 1470/4885APP 4354/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 AKR1C3 1419/4885AKR1C2 2324/4885APP 1068/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 AKR1C3 1193/4885AKR1C2 1007/4885APP 1870/4885

“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.