SCHEMBL2708355

SCHEMBL2708355

CC1(F)Oc2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
UBE2N P61088 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR3 P46089 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL24181276 0.83 ALOX5 (0.35) ALOX5HTTLMNATSHRABCG2
SCHEMBL20792891 0.78 ALOX5 (0.35) ALOX5HTTLMNATSHRABCG2
SCHEMBL7696149 0.77 HTT (0.39) ALOX5HTTLMNAPOLBTDP1
SCHEMBL370061 0.77 TSHR (0.58) ALOX5HTTLMNATSHRABCG2
SCHEMBL13783569 0.77 HTT (0.44) ALOX5HTTLMNATSHRABCG2
SCHEMBL200514 0.77 GPR3 (0.45) ALOX5HTTLMNAABCG2ITGB2
SCHEMBL848935 0.77 ALOX5 (0.38) ALOX5HTTLMNAABCG2ITGB2
SCHEMBL29442756 0.77 TSHR (0.58) ALOX5HTTLMNATSHRABCG2
SCHEMBL2666086 0.74 CD44 (0.34) TSHRTDP1
SCHEMBL24181289 0.74 HTT (0.30) HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023284860-A1 3-PHENYLPROPIONIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-01-19 WO disclosed
US-9951062-B2 Substituted 1 H-pyrrolo [2, 3-b] pyridine and 1 H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-04-24 US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9890153-B2 Substituted 1H-pyrrolo [2, 3-b] pyridine and 1H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-02-13 US disclosed
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-03-31 US disclosed
US-20160081989-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-03-24 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8470889-B2 Hybrid-ionone and curcumin molecules as anticancer agents TRT PHARMA INC. (CA) 2013-06-25 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (9 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-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors SIK2, SIK1, SIK3 ALOX5 3920/4885HTT 1781/4885LMNA 4083/4885
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 ALOX5 565/4885HTT 4604/4885LMNA 4689/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALOX5 3436/4885HTT 1294/4885LMNA 1353/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALOX5 3436/4885HTT 1294/4885LMNA 1353/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALOX5 3436/4885HTT 1294/4885LMNA 1353/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALOX5 3436/4885HTT 1294/4885LMNA 1353/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALOX5 3436/4885HTT 1294/4885LMNA 1353/4885
US-20160081989-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors SIK2, SIK1, SIK3 ALOX5 3920/4885HTT 1781/4885LMNA 4083/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALOX5 3436/4885HTT 1294/4885LMNA 1353/4885

“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.