SCHEMBL978911

SCHEMBL978911

COC(=O)c1ccc(Br)c(OC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
MAPT P10636 4/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 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
SCHEMBL1980076 0.87 NOTUM (0.56) NOTUMMAPTCA1CA2CA12
SCHEMBL2297062 0.86 NOTUM (0.51) NOTUMMAPTCA1CA2CA12
SCHEMBL24425908 0.83 MAPT (0.50) NOTUMMAPTCA1CA2CA12
SCHEMBL977072 0.83 KMT2A (0.53) CA1CA2CA12CA7CA9
SCHEMBL426745 0.83 MAPT (0.62) NOTUMMAPTCA1CA2CA12
SCHEMBL6568018 0.82 MAPT (0.66) MAPTCA1CA2CA12CA7
SCHEMBL28663604 0.82 MAPT (0.66) MAPTCA1CA2CA12CA7
SCHEMBL2827824 0.82 NOTUM (0.56) NOTUMMAPTCA1CA2CA12
SCHEMBL7356100 0.81 MAPT (0.46) NOTUMMAPTCA1CA2CA12
SCHEMBL2827834 0.81 ALDH1A1 (0.47) NOTUMMAPTCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102449-A Phenyl derivatives as cannabinoid receptor 2 agonists 豪夫迈·罗氏有限公司 2023-05-12 CN disclosed
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US disclosed
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2022-11-17 US disclosed
CN-108349901-B Phenyl derivatives as cannabinoid receptor 2 agonists 豪夫迈·罗氏有限公司 2022-08-16 CN disclosed
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2022-05-24 US disclosed
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2022-05-24 US disclosed
EP-3837262-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF Amgen Inc. (US) 2021-06-23 EP disclosed
CN-112979630-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2021-06-18 CN disclosed
US-20210171441-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2021-06-10 US disclosed
US-20210171441-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2021-06-10 US disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 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 (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-20210171441-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS CNR2, CNR1, GPR18 NOTUM 2223/4885MAPT 1838/4885CA1 4579/4885
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 NOTUM 374/4885MAPT 981/4885CA1 3705/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 NOTUM 649/4885MAPT 1161/4885CA1 3657/4885
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof CYP3A7, CYP51A1, NT5C3B NOTUM 473/4885MAPT 4708/4885CA1 2410/4885
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists CNR2, CNR1, GPR18 NOTUM 2223/4885MAPT 1838/4885CA1 4579/4885
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF CYP3A7, CYP51A1, NT5C3B NOTUM 473/4885MAPT 4708/4885CA1 2410/4885

“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.