SCHEMBL10064802

SCHEMBL10064802

CC(C)(C)c1ccc(Cl)c(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
CYP2C19 P33261 1/20 0.41
PDE3A Q14432 1/20 0.39
PGK1 P00558 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GRM2 Q14416 1/20 0.36
KIF11 P52732 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 2/20 0.35

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
SCHEMBL10145014 0.85 CYP2C19 (0.51) CYP2C19PGK1CA1CA2CA9
SCHEMBL10933173 0.85 NOTUM (0.43) NOTUMPDE3AALDH1A1HTR2ASLC6A4
SCHEMBL4572959 0.82 SLC22A12 (0.40) NOTUMPDE3APGK1GRM2SLC22A12
SCHEMBL10064792 0.79 PDE2A (0.41) CA1CA2CA9GRM2KIF11
SCHEMBL25530871 0.79 CA1 (0.40) CYP2C19CA1CA2CA9KIF11
SCHEMBL15803005 0.79 KDM4E (0.40) NOTUMCA1CA2CA9KIF11
SCHEMBL5175734 0.79 RORC (0.42) CYP2C19ALDH1A1HTR2AKDM4E
SCHEMBL179444 0.79 CYP2C19 (0.44) CYP2C19CA1CA2CA9ALDH1A1
SCHEMBL13698781 0.78 CA1 (0.42) CYP2C19CA1CA2CA9TRPV1
SCHEMBL12828080 0.78 CA1 (0.42) CYP2C19CA1CA2CA9TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051483-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-02-16 US disclosed
US-20220119385-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-04-21 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 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-20220119385-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 NOTUM 535/4885CYP2C19 20/4885PDE3A 487/4885
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 NOTUM 4163/4885CYP2C19 1320/4885PDE3A 2785/4885
US-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 NOTUM 235/4885CYP2C19 18/4885PDE3A 1346/4885
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 NOTUM 1837/4885CYP2C19 319/4885PDE3A 1479/4885
US-20230051483-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 NOTUM 535/4885CYP2C19 20/4885PDE3A 487/4885
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 NOTUM 4163/4885CYP2C19 1320/4885PDE3A 2785/4885

“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.