SCHEMBL2938544

SCHEMBL2938544

Fc1cc(I)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TTR P02766 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
RAPGEF4 Q8WZA2 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
Phosphine SCHEMBL28191590 0.97 CES2 (0.39) CES2CES1TTRCA1CA2
SCHEMBL11992628 0.80 RAPGEF4 (0.34) TTRRAPGEF4
SCHEMBL18101290 0.79 TTR (0.33) TTR
SCHEMBL15076679 0.78
SCHEMBL3062133 0.76 SLC6A4 (0.31) CES2CES1
SCHEMBL22449911 0.76 GABRA1 (0.33)
SCHEMBL3066902 0.74 ERN1 (0.47) CES2CES1
SCHEMBL855169 0.73 KDM1A (0.39) TTR
SCHEMBL752725 0.73 HDAC1 (0.39) TTR
SCHEMBL1095914 0.73 CA1 (0.41) TTRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102153559-B Method for synthesizing sitagliptin phosphate and derivatives thereof NANJING UNIVERSITY OF TECHNOLOGY 2013-04-24 CN claimed
EP-1362860-B1 Method for producing tetrakis (fluoraryl)borate magnesium compound NIPPON CATALYTIC CHEM IND (JP) 2010-09-15 EP claimed
US-7205441-B2 Method for producing tetrakis (fluoroaryl) borate-magnesium compound NIPPON SHOKUBAI CO., LTD. (JP) 2007-04-17 US claimed
US-20030216598-A1 Method for producing tetrakis ( fluoroaryl) borate-magnesium compound NIPPON SHOKUBAI CO., LTD. (JP) 2003-11-20 US claimed
EP-1362860-A1 Method for producing tetrakis (fluoroaryl) borate magnesium compound Nippon Shokubai Co., Ltd. (JP) 2003-11-19 EP claimed
EP-4665495-A1 DEVELOPMENT OF LIGANDS FOR METALS AND METAL-CATALYZED REACTIONS Indian Institute of Technology Bombay (IN) 2025-12-24 EP disclosed
US-12268687-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-08 US disclosed
US-20250034124-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-20250034125-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-20240425512-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF 280 BIO, INC. (US) 2024-12-26 US disclosed
WO-2024254404-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF 280 BIO, INC. (US) 2024-12-12 WO disclosed
CN-119101070-A Nitrogen-containing heterocyclic compound, pharmaceutical composition and application thereof 上海璎黎药业有限公司 2024-12-10 CN disclosed
CN-1356331-A Process for preparing metallic fluoroaryl ampound NIPPON CATALYTIC CHEM IND (JP) 2002-07-03 CN disclosed
EP-1211255-A2 Method for producing fluoroaryl metal compound Nippon Shokubai Co., Ltd. (JP) 2002-06-05 EP disclosed
US-20020065426-A1 Method for producing fluoroaryl metal compound NIPPON SHOKUBAI CO., LTD (JP) 2002-05-30 US disclosed
US-6235222-B1 REACTING, IN SOLVENT CONTAINING CHAIN ETHER SOLVENT, HYDROCARBON MAGNESIUM HALIDE WITH FLUOROARYL HALIDE NIPPON SHOKUBAI CO., LTD. (JP) 2001-05-22 US disclosed
EP-0995753-A2 Method for manufacturing fluoroaryl magnesium halide Nippon Shokubai Co., Ltd. (JP) 2000-04-26 EP disclosed
EP-0109606-B1 PROCESS FOR THE FORMYLATION OF ARYL HALIDES BAYER AG (DE) 1986-01-22 EP disclosed
US-4536344-A USING A PHOSPINE OR PHOSPHITE BAYER AKTIENGESELLSCHAFT (DE) 1985-08-20 US disclosed
EP-0109606-A1 Process for the formylation of aryl halides BAYER AG (DE) 1984-05-30 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 (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-20250034124-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 CES2 228/4885CES1 1769/4885TTR 4376/4885
US-20030216598-A1 Method for producing tetrakis ( fluoroaryl) borate-magnesium compound KRAS, MGAM, CA3 CES2 3957/4885CES1 4605/4885TTR 1232/4885
US-12268687-B2 Compounds and uses thereof NLN, BDNF, NQO1 CES2 228/4885CES1 1769/4885TTR 4376/4885
US-20240425512-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF KRAS, NRAS, HRAS CES2 4804/4885CES1 4124/4885TTR 565/4885
US-20020065426-A1 Method for producing fluoroaryl metal compound DDT, TERT, HACL2 CES2 3276/4885CES1 3890/4885TTR 257/4885
US-20250034125-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 CES2 228/4885CES1 1769/4885TTR 4376/4885

“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.