SCHEMBL807269

SCHEMBL807269

CC(C)c1c(Cl)cc(C#N)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
VCAM1 P19320 3/20 0.36
AR P10275 3/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR35 Q9HC97 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
MET P08581 1/20 0.32
S1PR1 P21453 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL807523 0.87 TRPV4 (0.34) TTRALBVCAM1ARGPR35
SCHEMBL18552870 0.87 AR (0.39) TTRALBVCAM1ARGPR35
SCHEMBL807272 0.86 MET (0.36) TTRALBVCAM1ARALDH1A1
SCHEMBL12295182 0.76 CYP1A1 (0.31)
SCHEMBL13681500 0.76 TTR (0.38) TTRALBVCAM1MEN1KMT2A
SCHEMBL22899690 0.76 TTR (0.38) TTRALBVCAM1MEN1KMT2A
SCHEMBL9515292 0.75 TTR (0.46) TTRALBVCAM1ARMEN1
SCHEMBL7166993 0.75 AR (0.42) TTRALBVCAM1ARMEN1
SCHEMBL12263154 0.74 TTR (0.37) TTRALBVCAM1MEN1KMT2A
SCHEMBL105405 0.74 AR (0.42) VCAM1ARALDH1A1CYP2A6PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 US disclosed
WO-2012066061-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-24 WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-7585861-B2 HIV replication inhibitors; for (multi)drug resistant HIV infection JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-08 US disclosed
US-7585861-B2 HIV replication inhibitors; for (multi)drug resistant HIV infection JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-08 US disclosed
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection BMO BANK N.A., AS ADMINISTRATIVE AGENT 2007-02-15 US disclosed
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection BMO BANK N.A., AS ADMINISTRATIVE AGENT 2007-02-15 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 (13 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL TTR 287/4885ALB 371/4885VCAM1 45/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL TTR 1202/4885ALB 822/4885VCAM1 22/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TTR 3973/4885ALB 1725/4885VCAM1 1086/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL TTR 287/4885ALB 371/4885VCAM1 45/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TTR 3371/4885ALB 2484/4885VCAM1 2932/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TTR 1202/4885ALB 822/4885VCAM1 22/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TTR 3973/4885ALB 1725/4885VCAM1 1086/4885
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection REV1, CCNI, MCM6 TTR 4187/4885ALB 3953/4885VCAM1 646/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B TTR 3712/4885ALB 4065/4885VCAM1 20/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 TTR 308/4885ALB 590/4885VCAM1 27/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TTR 1202/4885ALB 822/4885VCAM1 22/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 TTR 3973/4885ALB 1725/4885VCAM1 1086/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TTR 1202/4885ALB 822/4885VCAM1 22/4885

“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.