SCHEMBL2764606

SCHEMBL2764606

Fc1ccc2c(c1)Cc1c[c]ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.39
CYP17A1 P05093 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
PARP1 P09874 2/20 0.35
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
ACHE P22303 2/20 0.33
TDP2 O95551 1/20 0.33
PARP10 Q53GL7 1/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL2238415 0.82 NPC1 (0.32) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL577480 0.82 PGR (0.49) PGRCYP17A1CA1CA2CA4
SCHEMBL71211 0.82
SCHEMBL2765442 0.78 METAP1 (0.43) PGRCA1CA2CA4CA6
SCHEMBL7802748 0.78 RAB9A (0.56) PARP1TDP2NPC1MAPTRAB9A
SCHEMBL2765317 0.78 METAP1 (0.43) PGRCA1CA2CA4CA6
SCHEMBL9811056 0.76 PGR (0.49) PGRCYP17A1CA1CA2CA4
SCHEMBL4873315 0.76
SCHEMBL2678990 0.74
SCHEMBL20796967 0.74 TDP2 (0.47) TDP2PARP10NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US disclosed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 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 (6 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 PGR 968/4885CYP17A1 850/4885CA1 37/4885
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 PGR 1333/4885CYP17A1 196/4885CA1 39/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 PGR 1327/4885CYP17A1 189/4885CA1 39/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 PGR 1004/4885CYP17A1 771/4885CA1 34/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 PGR 1327/4885CYP17A1 189/4885CA1 39/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 PGR 1359/4885CYP17A1 199/4885CA1 39/4885

“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.