SCHEMBL1827509

SCHEMBL1827509

Fc1ccc(F)c([Mg]Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NFE2L2 Q16236 5/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
PTPN1 P18031 1/20 0.32
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL29766167 0.80 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL362051 0.80 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL38652412 0.78 DGAT1 (0.36) ALDH1A1KDM1AKDM1BCYP2A6TDP1
SCHEMBL30770922 0.76 PHOSPHO1 (0.32) CA3CA6CA5ACA9CA14
SCHEMBL379916 0.76 ACHE (0.35) CA3CA6CA5ACA9CA14
SCHEMBL3610893 0.76 NFE2L2 (0.36) ALDH1A1NFE2L2CYP1A2CYP2A6TDP1
SCHEMBL1429441 0.75 CA3 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL27873065 0.74 CA3 (0.46) CA3CA6CA5ACA9CA14
SCHEMBL636066 0.72 NFE2L2 (0.42) CA9CA14NFE2L2CYP1A2KDM4E
SCHEMBL165158 0.71 ACHE (0.35) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107445879-B Preparation method of Latricinib intermediate 苏州立新制药有限公司 2020-07-24 CN claimed
CN-107556226-B Preparation method of Latricinib intermediate 苏州明锐医药科技有限公司 2020-06-30 CN claimed
CN-109354578-A It is a kind of for Buddhist nun's intermediate and for the synthetic method of Buddhist nun 浙江师范大学 2019-02-19 CN claimed
CN-105367556-A Synthetic method of antifungal drug intermediate (2R,3S) -1- (1,2, 4-triazolyl) -2-difluorophenyl-2, 3-epoxybutane NANTONG NUOTAI BIOLOGICAL PHARMACEUTICAL CO LTD 2016-03-02 CN claimed
US-11059827-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2021-07-13 US disclosed
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION 2021-06-29 US disclosed
CN-108137607-B Compounds and compositions suitable for treating NTRK-related disorders 缆图药品公司 2021-04-06 CN disclosed
CN-112010901-A (2, 5-difluorophenyl) diphenyl phosphine oxide and preparation method thereof 上海应用技术大学 2020-12-01 CN disclosed
CN-107445879-B Preparation method of Latricinib intermediate 苏州立新制药有限公司 2020-07-24 CN disclosed
CN-107556226-B Preparation method of Latricinib intermediate 苏州明锐医药科技有限公司 2020-06-30 CN disclosed
US-10370379-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2019-08-06 US disclosed
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2019-06-06 US disclosed
CN-1313288-A Preparation of 4(fluorated aromatic radical) boron derivatives NIPPON CATALYTIC CHEM IND (JP) 2001-09-19 CN disclosed
CN-1313289-A Preparation of 4(fluorated aromatic radical) boron derivatives NIPPON CATALYTIC CHEM IND (JP) 2001-09-19 CN disclosed
CN-1295074-A Prep. of boron tetra [fluoro aryl] compound NIPPON CATALYTIC CHEM IND (JP) 2001-05-16 CN disclosed
CN-1295073-A Prep. of boron [fluoroaryl] compound NIPPON CATALYTIC CHEM IND (JP) 2001-05-16 CN disclosed
US-6057480-A Process for preparing fluoroaryl magnesium derivative and process for preparing (fluoroaryl) borane compound NIPPON SHOKUBAI CO., LTD. (JP) 2000-05-02 US disclosed
CN-1180705-A Method for producing [ fluoroaryl ] boron compound and method for producing tetrakis [ fluoroaryl ] boron derivative NIPPON CATALYTIC CHEM IND (JP) 1998-05-06 CN disclosed
EP-0838466-A2 Producing process of (fluoroaryl) borane compound and producing process of tetrakis (fluoroaryl) borate derivative NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-29 EP disclosed
EP-0825195-A1 PROCESS FOR THE PREPARATION OF FLUORINATED ARYLMAGNESIUM DERIVATIVES AND PROCESS FOR THE PREPARATION OF (FLUORINATED ARYL)BORON COMPOUNDS NIPPON SHOKUBAI CO., LTD. (JP) 1998-02-25 EP 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 (4 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-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 CA3 4747/4885CA6 4699/4885CA5A 2648/4885
US-11059827-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK2, NTRK3, NTRK1 CA3 4737/4885CA6 4807/4885CA5A 3297/4885
US-10370379-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 CA3 4725/4885CA6 4699/4885CA5A 2444/4885
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK3, NTRK2, NTRK1 CA3 4747/4885CA6 4699/4885CA5A 2648/4885

“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.