SCHEMBL2698326

SCHEMBL2698326

COC(=O)c1ccc(C2(C(N)=S)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA7 P43166 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2701019 0.94 SMN1; SMN2 (0.45) MAPTCA1CA2CA12CA9
SCHEMBL198271 0.90 ALDH1A1 (0.52) MAPTTDP1ALDH1A1HPGDALOX15
SCHEMBL2701206 0.86 ALDH1A1 (0.48) MAPTCA1CA2CA12CA9
SCHEMBL2701195 0.84 MAPT (0.46) MAPTCA1CA2CA12CA9
SCHEMBL871865 0.76 CA1 (0.52) MAPTCA1CA2CA12CA9
SCHEMBL20703721 0.75 AKR1C1 (0.53) MAPTCA1CA2CA12CA9
SCHEMBL21874049 0.75 TSHR (0.44) MAPTCA1CA2CA12CA9
SCHEMBL2304252 0.75 CA1 (0.59) MAPTCA1CA2CA12CA9
SCHEMBL19343554 0.75 POLB (0.46) MAPTCA1CA2CA12CA9
Hydrochloric Acid SCHEMBL871688 0.75 CA1 (0.50) MAPTCA1CA2CA12CA9

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 MAPT 1634/4885CA1 2427/4885CA2 2220/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MAPT 1634/4885CA1 2427/4885CA2 2220/4885

“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.