Sugi Predict

Sugi Predict / Compounds / SCHEMBL9962270

SCHEMBL9962270

SCHEMBL9962270

Cc1cc(C(C)C)cc(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ EIF4A3 P38919 1/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 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
SCHEMBL15713185 0.86 CYP1A2 (0.39) LMNAEIF4A3CYP1A2CYP2C9ALOX15
SCHEMBL2737355 0.84 LMNA (0.41) LMNAEIF4A3PTGS1TRPA1CACNA1C
SCHEMBL17792365 0.80 EIF4A3 (0.36) EIF4A3CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL15934965 0.77 LMNA (0.38) LMNAEIF4A3PTGS1CYP1A2CYP2C9
SCHEMBL14116507 0.77 LMNA (0.38) LMNAEIF4A3PTGS1CYP1A2CYP2C9
SCHEMBL6124154 0.77 EIF4A3 (0.37) LMNAEIF4A3PTGS1TRPA1CACNA1C
SCHEMBL29336006 0.77 EIF4A3 (0.33) EIF4A3CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL14433594 0.77 TRPV4 (0.35) LMNAEIF4A3PTGS1TRPA1CACNA1C
SCHEMBL15787312 0.76 — —
SCHEMBL22168395 0.76 EIF4A3 (0.36) LMNAEIF4A3PTGS1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128162-A1 TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2023-04-27 — — US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
EP-2697229-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-04 — — EP disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 — — US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
US-9744186-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2017-08-29 — — US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 — — US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 — — US disclosed
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS THE OHIO STATE UNIVERSITY 2016-12-08 — — US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 — — US disclosed
US-9447137-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2016-09-20 — — US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 — — US disclosed
US-20150259375-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS THE OHIO STATE UNIVERSITY 2015-09-17 — — US disclosed
US-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 — — US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 — — US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 — — US disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 — — US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 — — 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 (10 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-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK LMNA 4417/4885EIF4A3 1458/4885PTGS1 3355/4885
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK LMNA 3697/4885EIF4A3 1322/4885PTGS1 3275/4885
US-20230128162-A1 TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACE, ACE2, SARS1 LMNA 1968/4885EIF4A3 199/4885PTGS1 3108/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK LMNA 3697/4885EIF4A3 1322/4885PTGS1 3275/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LMNA 3839/4885EIF4A3 967/4885PTGS1 276/4885
US-20150259375-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS TYMP, GMNN, SAMHD1 LMNA 3727/4885EIF4A3 511/4885PTGS1 3072/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT LMNA 2375/4885EIF4A3 1081/4885PTGS1 533/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK LMNA 3697/4885EIF4A3 1322/4885PTGS1 3275/4885
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS KRAS, NRAS, GMNN LMNA 4302/4885EIF4A3 328/4885PTGS1 3723/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK LMNA 3697/4885EIF4A3 1322/4885PTGS1 3275/4885

“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.