SCHEMBL695717

SCHEMBL695717

COC(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.51
NOTUM Q6P988 2/20 0.47
PDK2 Q15119 2/20 0.46
ATM Q13315 2/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK4 Q16654 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL696154 0.86 NOTUM (0.51) CFTRNOTUMPDK2SLC6A4SLC6A3
SCHEMBL2056501 0.83 KMT2A (0.44) ATMKMT2ACES2ALDH1A1L3MBTL1
SCHEMBL2002005 0.83 CFTR (0.69) CFTRNOTUMPDK2CA12CA1
SCHEMBL13948877 0.83 CFTR (0.51) CFTRNOTUMPDK2ATMRAB9A
SCHEMBL1940800 0.83 CA12 (0.61) CFTRNOTUMPDK2ATMKMT2A
SCHEMBL10861732 0.83 NOTUM (0.64) CFTRNOTUMPDK2ATMKMT2A
SCHEMBL16628377 0.82 CA12 (0.47) PDK2ATMKMT2ANPC1CA12
SCHEMBL30172263 0.82 TSHR (0.52) ATMKMT2ASMN1; SMN2CA12CA1
SCHEMBL540542 0.82 TSHR (0.52) ATMKMT2ASMN1; SMN2CA12CA1
SCHEMBL22979384 0.81 KDM4E (0.51) CFTRNOTUMNPC1RAB9ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
WO-2000046224-A2 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 WO disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 US disclosed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
US-6048984-A HERBICIDES AND ANTIGROWTH AGENTS RHONE-POULENC AGRICULTURE LIMITED (GB) 2000-04-11 US disclosed
US-5977376-A Herbicidal 2-benzoylcyclohexane-1,3-diones and related compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-11-02 US disclosed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
WO-1999003845-A1 2-BENZOYLCYCLOHEXANE-1,3-DIONE DERIVATIVES AS HERBICIDES AND INTERMEDIATES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO 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-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS CFTR 1455/4885NOTUM 2257/4885PDK2 3554/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS CFTR 1455/4885NOTUM 2257/4885PDK2 3554/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 CFTR 1834/4885NOTUM 1806/4885PDK2 540/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS CFTR 1455/4885NOTUM 2257/4885PDK2 3554/4885

“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.