SCHEMBL331631

SCHEMBL331631

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 15/20 1.00
P2RX1 P51575 8/20 1.00
P2RX4 Q99571 6/20 1.00
P2RX7 Q99572 6/20 1.00
MEN1 O00255 1/20 0.80
IKBKB O14920 1/20 0.80
CHUK O15111 1/20 0.80
KDR P35968 1/20 0.80
FLT3 P36888 1/20 0.80
KMT2A Q03164 1/20 0.80
MYLK Q15746 1/20 0.80
MAP4K5 Q9Y4K4 1/20 0.80
SLC2A1 P11166 1/20 0.74
KCNMA1 Q12791 1/20 0.68

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
SCHEMBL29617517 1.00 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL25349155 0.89 TMPRSS4 (0.80) TMPRSS4P2RX1P2RX4P2RX7MEN1
Imd-0354 SCHEMBL29406220 0.89 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13812702 0.89 TMPRSS4 (0.94) TMPRSS4P2RX1P2RX4P2RX7MEN1
Imd-0354 SCHEMBL129165 0.89 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL2169619 0.86 P2RX1 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL29454776 0.86 P2RX1 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330059 0.86 TMPRSS4 (0.90) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL30087062 0.86 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330629 0.85 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 US claimed
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE DUKE UNIVERSITY 2020-02-06 US claimed
EP-3313388-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE Duke University (US) 2018-05-02 EP claimed
WO-2016210289-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE DUKE UNIVERSITY (US) 2016-12-29 WO claimed
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-07 US claimed
CN-118076589-A Amide compound, preparation method and pharmaceutical application thereof 中国科学院上海药物研究所 2024-05-24 CN disclosed
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 US disclosed
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
WO-2022268145-A1 AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 中国科学院上海药物研究所 2022-12-29 WO disclosed
CN-115504940-A Amide compound, preparation method and pharmaceutical application thereof 中国科学院上海药物研究所 2022-12-23 CN disclosed
US-11529361-B2 Halogenated salicylanilides for treating Clostridium infections UNION therapeutics A/S (DK) 2022-12-20 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20060089395-A1 Nf-kb activation inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-04-27 US disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
US-5905090-A IMMUNOSUPPRESSANTS AND/OR ANTIINFLAMMATORIES ITALFARMACO S.P.A. (IT) 1999-05-18 US 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 (8 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-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections ACE2, ACE, TMPRSS2 TMPRSS4 14/4885P2RX1 2669/4885P2RX4 3287/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1647/4885P2RX1 1538/4885P2RX4 2695/4885
US-20200038350-A1 CHEMICAL MODULATORS OF SIGNALING PATHWAYS AND THERAPEUTIC USE SFRP1, FZD7, WNT1 TMPRSS4 2074/4885P2RX1 3423/4885P2RX4 3784/4885
US-11529361-B2 Halogenated salicylanilides for treating Clostridium infections SLC10A2, FABP2, SI TMPRSS4 2812/4885P2RX1 4219/4885P2RX4 4028/4885
US-20140221411-A1 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT TMPRSS2, TMPRSS4, PRSS2 TMPRSS4 2/4885P2RX1 4273/4885P2RX4 3330/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB TMPRSS4 4204/4885P2RX1 4732/4885P2RX4 4831/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885P2RX1 2316/4885P2RX4 3466/4885
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 TMPRSS4 2067/4885P2RX1 910/4885P2RX4 694/4885

“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.