SCHEMBL1761063

SCHEMBL1761063

COc1cccc(C(F)(F)F)c1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOB P27338 1/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SLC6A9 P48067 1/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL425534 0.85 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL9789186 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8447031 0.82 ALDH1A1 (0.48) KMT2AKDM4EMEN1LMNASMN1; SMN2
SCHEMBL104667 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL3801444 0.81 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL12575542 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL16888475 0.77 ALDH1A1 (0.42) KMT2AKDM4EMEN1HTTATM
SCHEMBL1265737 0.77 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL6329502 0.77 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3027243 0.75 SLC6A9 (0.45) SLC6A9AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 US disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 CN disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 US disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 CN disclosed
US-10633349-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2020-04-28 US disclosed
CN-104066724-B P2X4 receptor antagonists 日本化学药品株式会社 2020-04-17 CN disclosed
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2018-07-19 US disclosed
EP-1694659-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2006-08-30 EP disclosed
US-20060025453-A1 Isothiazole dioxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2006-02-02 US disclosed
WO-2005068460-A1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-07-28 WO disclosed
WO-2005066147-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-07-21 WO disclosed
EP-1551818-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS Pharmacopeia Drug Discovery, Inc. (US) 2005-07-13 EP disclosed
EP-1539678-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-06-15 EP disclosed
US-20040186142-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands SCHERING CORPORATION PHARMACOPEIA, INC. 2004-09-23 US disclosed
US-20040147559-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2004-07-29 US disclosed
WO-2004033440-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-04-22 WO disclosed
WO-2004011418-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-02-05 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 (10 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-20060025453-A1 Isothiazole dioxides as CXC- and CC-chemokine receptor ligands CCR2, CXCR1, CXCR2 CA12 1000/4885CA1 452/4885CA2 657/4885
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA12 3280/4885CA1 1429/4885CA2 513/4885
US-20040147559-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, CXCR1, ACKR3 CA12 1066/4885CA1 1357/4885CA2 2539/4885
US-20040186142-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands CXCR1, CCR2, CX3CR1 CA12 2248/4885CA1 1189/4885CA2 1738/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA12 3589/4885CA1 1516/4885CA2 505/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 CA12 3280/4885CA1 1429/4885CA2 513/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA12 3280/4885CA1 1429/4885CA2 513/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 CA12 3280/4885CA1 1429/4885CA2 513/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 CA12 3280/4885CA1 1429/4885CA2 513/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 CA12 3280/4885CA1 1429/4885CA2 513/4885

“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.