SCHEMBL2007205

SCHEMBL2007205

O=CC(F)(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
PTPN1 P18031 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
KIF11 P52732 1/20 0.42
PTPN5 P54829 2/20 0.39
KCNN4 O15554 3/20 0.38
CYP2A6 P11509 1/20 0.38
PGK1 P00558 2/20 0.37
PGK2 P07205 2/20 0.37
BACE1 P56817 1/20 0.36
CYP1A1 P04798 1/20 0.36
MAOB P27338 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP1A2 P05177 1/20 0.36
CES1 P23141 1/20 0.36
TRPV6 Q9H1D0 1/20 0.35

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
SCHEMBL21501174 0.83 LTA4H (0.48) TSHRCA1CA2CA9ESR2
SCHEMBL2397571 0.79 KCNN4 (0.43) CA1CA2CA9KCNN4CYP1A1
SCHEMBL8581116 0.77 HSD17B10 (0.44) TSHRCYP2A6
SCHEMBL11431 0.77 CA2 (0.48) ALDH1A1PTPN1CA1CA2CA5A
SCHEMBL4660648 0.77 ALDH1A1 (0.48) ALDH1A1TSHRPTPN1CA1CA2
SCHEMBL16147297 0.77 CA2 (0.48) ALDH1A1TSHRCA1CA2CA5A
SCHEMBL7776184 0.75 ALDH1A1 (0.46) ALDH1A1TSHRPTPN1CA1CA2
SCHEMBL19523000 0.75 TSHR (0.46) ALDH1A1TSHRPTPN1CA1CA2
SCHEMBL16148009 0.75 PTPN1 (0.56) ALDH1A1PTPN1CA1CA2CA9
SCHEMBL548046 0.75 ALDH1A1 (0.43) ALDH1A1TSHRPTPN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
EP-4423096-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF Merck Sharp & Dohme LLC (US) 2024-09-04 EP disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
EP-3498289-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2019-06-19 EP disclosed
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC. 2018-12-13 US disclosed
EP-2722051-B1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus SEATTLE GENETICS INC (US) 2018-11-07 EP disclosed
WO-2006122788-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2006-11-23 WO disclosed
CN-1034120-C Pyridine derivatives ZENECA LTD (GB) 1997-02-26 CN disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
EP-0430771-B1 Isoindolone derivatives, their preparation and their use as intermediates for the preparation of substance P antagonists RHONE POULENC SANTE (FR) 1994-07-20 EP disclosed
EP-0429366-B1 Isoindolone derivatives, their preparation and pharmaceutical compositions containing them RHONE POULENC SANTE (FR) 1994-03-16 EP disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0430771-A1 Isoindolone derivatives, their preparation and their use as intermediates for the preparation of substance P antagonists RHONE-POULENC SANTE (FR) 1991-06-05 EP disclosed
EP-0429366-A1 Isoindolone derivatives, their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1991-05-29 EP disclosed
CN-1041942-A Pyridine derivate ICI PLC (GB) 1990-05-09 CN disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 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 (3 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 ALDH1A1 3621/4885TSHR 1670/4885PTPN1 256/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ALDH1A1 2005/4885TSHR 4034/4885PTPN1 435/4885
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP ALDH1A1 3562/4885TSHR 3534/4885PTPN1 4207/4885

“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.