Sugi Predict

Sugi Predict / Compounds / SCHEMBL1797241

SCHEMBL1797241

SCHEMBL1797241

COC(=O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.66
▸ HDAC3 O15379 1/20 0.65
▸ ADAM17 P78536 1/20 0.65
▸ HDAC1 Q13547 1/20 0.65
▸ HDAC2 Q92769 1/20 0.65
▸ HDAC10 Q969S8 1/20 0.65
▸ HDAC11 Q96DB2 1/20 0.65
▸ HDAC8 Q9BY41 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ HDAC5 Q9UQL6 1/20 0.65
▸ CA12 O43570 1/20 0.64
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ TYR P14679 1/20 0.64
▸ CA7 P43166 1/20 0.64
▸ CA9 Q16790 1/20 0.64
▸ CA14 Q9ULX7 1/20 0.64
▸ CYP1A1 P04798 5/20 0.60
▸ CYP1B1 Q16678 5/20 0.60
▸ MAOB P27338 3/20 0.60

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
SCHEMBL1797240 1.00 CYP1A2 (0.66) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL5057418 0.85 CA12 (0.84) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL71224 0.85 CA12 (0.84) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL846211 0.84 CYP1A2 (0.68) CYP1A2CA12CA1CA2TYR
SCHEMBL846210 0.84 CYP1A2 (0.68) CYP1A2CA12CA1CA2TYR
SCHEMBL6030025 0.83 NR1H4 (0.52) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL3592842 0.83 NR1H4 (0.52) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL7786814 0.83 NR1H4 (0.52) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL1689725 0.82 CA12 (0.67) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL1689727 0.82 CA12 (0.67) CYP1A2HDAC3ADAM17HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594686-B Millpulin A derivative, preparation method and medical application thereof 沈阳药科大学 2023-10-13 — — CN claimed
CN-115594686-A Millpuline A derivatives, and preparation method and medical application thereof 沈阳药科大学（CN） 2023-01-13 — — CN claimed
CN-1105706-C Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2003-04-16 — — CN claimed
CN-1305993-A Cyclic guanyl preparation used as nitrogen oxide synthetic enzyme inhibitor SEARLE & CO (US) 2001-08-01 — — CN claimed
CN-1189823-A Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1998-08-05 — — CN claimed
CN-115594686-B Millpulin A derivative, preparation method and medical application thereof 沈阳药科大学 2023-10-13 — — CN disclosed
CN-115594686-A Millpuline A derivatives, and preparation method and medical application thereof 沈阳药科大学（CN） 2023-01-13 — — CN disclosed
CN-102701974-B Method for synthesizing cinnamate derivatives HUBEI YUANCHENG PHARMACEUTICAL 2014-07-30 — — CN disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 — — EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 — — US disclosed
CN-1105706-C Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2003-04-16 — — CN disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 — — US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 — — WO disclosed
CN-1305993-A Cyclic guanyl preparation used as nitrogen oxide synthetic enzyme inhibitor SEARLE & CO (US) 2001-08-01 — — CN disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 — — US disclosed
CN-1189823-A Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1998-08-05 — — CN 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 (2 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 CYP1A2 487/4885HDAC3 1692/4885ADAM17 3955/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 CYP1A2 487/4885HDAC3 1692/4885ADAM17 3955/4885

“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.