SCHEMBL2701019

SCHEMBL2701019

COC(=O)c1ccc(C2(C(N)=S)CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL2698326 0.94 MAPT (0.46) SMN1; SMN2LMNATDP1ALDH1A1MAPT
SCHEMBL198271 0.87 ALDH1A1 (0.52) SMN1; SMN2NPSR1TDP1ALDH1A1MAPT
SCHEMBL2701206 0.84 ALDH1A1 (0.48) SMN1; SMN2LMNATDP1ALDH1A1KDM4E
SCHEMBL4804774 0.81 AKR1C1 (0.56) SMN1; SMN2NPSR1LMNATDP1ALDH1A1
SCHEMBL4814166 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1LMNATDP1ALDH1A1
SCHEMBL20703721 0.80 AKR1C1 (0.53) SMN1; SMN2NPSR1LMNATDP1ALDH1A1
SCHEMBL2701195 0.78 MAPT (0.46) SMN1; SMN2TDP1ALDH1A1MAPTCA1
SCHEMBL18662857 0.78 AKT1 (0.50) TDP1ALDH1A1MAPTCA1CA2
SCHEMBL21964333 0.77 HSD11B1 (0.61) SMN1; SMN2NPSR1LMNATDP1ALDH1A1
SCHEMBL4809825 0.75 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1LMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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 (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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 SMN1; SMN2 3414/4885NPSR1 4059/4885LMNA 1594/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 SMN1; SMN2 3414/4885NPSR1 4059/4885LMNA 1594/4885

“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.