SCHEMBL434636

SCHEMBL434636

O=C(O)c1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
EPHX2 P34913 4/20 0.56
FAAH O00519 1/20 0.55
MITF O75030 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 1/20 0.53
NR1H4 Q96RI1 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.50
ABCC9 O60706 2/20 0.49
ABCC8 Q09428 2/20 0.49
KCNJ11 Q14654 2/20 0.49

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
SCHEMBL5937201 0.94 RAB9A (0.55) CA12CA1CA2CA9EPHX2
SCHEMBL3765919 0.83 CA12 (0.59) CA12CA1CA2CA9KMT2A
SCHEMBL25845706 0.82 CA12 (0.59) CA12CA1CA2CA9EPHX2
SCHEMBL7428266 0.82 CA12 (0.54) CA12CA1CA2CA9EPHX2
SCHEMBL7428282 0.82 MAPT (0.60) CA12CA1CA2CA9EPHX2
SCHEMBL24513853 0.81 LNPEP (0.50) CA12CA1CA2CA9EPHX2
SCHEMBL29145378 0.81 LNPEP (0.50) CA12CA1CA2CA9EPHX2
SCHEMBL474941 0.81 HDAC1 (0.65) CA12CA1CA2CA9EPHX2
SCHEMBL10522559 0.81 CA12 (0.53) CA12CA1CA2CA9EPHX2
SCHEMBL5317709 0.80 PDK1 (0.75) KMT2AMEN1ABCC9ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US claimed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO claimed
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
WO-2023011416-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR 中国海洋大学 2023-02-09 WO disclosed
EP-3320921-B1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA INC (US) 2022-01-05 EP disclosed
EP-2595966-B1 SYNTHESIS OF CYCLOPENTAQUINAZOLINES BTG INT LTD (GB) 2020-10-28 EP disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION MERCK SHARP & DOHME CORP. 2019-07-11 US disclosed
US-20180153817-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA, INC. (US) 2018-06-07 US disclosed
WO-1999051565-A9 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 1999-12-02 WO disclosed
WO-1999051565-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE, INC. (US) 1999-10-14 WO disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed
US-5369123-A Anticholesterol agents, treatment of atherosclerosis, antilipidemic agents and treatment of hyperlipoproteinaemia E. R. SQUIBB & SONS, INC. (US) 1994-11-29 US disclosed
US-4994569-A Cholecystokinin antagonists RHONE-POULENC SANTE (FR) 1991-02-19 US disclosed
EP-0203047-B1 FLUORESCENT LANTHANIDE CHELATES Kankare, Jouko (FI) 1990-08-22 EP disclosed
US-4920195-A Fluorescent lanthanide chelates KANKARE JOUKO (FI) 1990-04-24 US disclosed
EP-0203047-A1 Fluorescent lanthanide chelates Kankare, Jouko (FI) 1986-11-26 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-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION ERG28, PAICS, BAK1 CA12 919/4885CA1 2522/4885CA2 2187/4885
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS PPIA, S100A4, S100A6 CA12 2788/4885CA1 3142/4885CA2 2665/4885
US-20180153817-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 CA12 484/4885CA1 1165/4885CA2 851/4885

“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.