SCHEMBL14904772

SCHEMBL14904772

CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 6/20 0.47
▸ CXCR2 P25025 6/20 0.47
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ KCNK3 O14649 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL28086194 1.00 CXCR1 (0.47) CXCR1CXCR2MAPTKMT2AKCNK3
SCHEMBL18556234 0.88 MAPT (0.43) CXCR1CXCR2MAPTKMT2AKCNK3
SCHEMBL14904771 0.88 GAA (0.47) CXCR1CXCR2MAPTKMT2AKDM4E
SCHEMBL14904738 0.85 MAPT (0.56) CXCR1CXCR2MAPTKMT2AKDM4E
SCHEMBL18556235 0.85 MAPT (0.56) CXCR1CXCR2MAPTKMT2AKDM4E
SCHEMBL14904773 0.84 CXCR1 (0.49) CXCR1CXCR2KCNK3GAACNR1
SCHEMBL14895239 0.83 SMN1; SMN2 (0.48) CXCR1CXCR2MAPTKMT2A
SCHEMBL14895238 0.83 SMN1; SMN2 (0.48) CXCR1CXCR2MAPTKMT2A
SCHEMBL16144470 0.81 KMT2A (0.50) MAPTKMT2ALMNAGAA
SCHEMBL7979807 0.77 KMT2A (0.54) MAPTKMT2ALMNACNR1CNR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362403-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-15 — — US disclosed
US-20160362403-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-15 — — US disclosed
CN-103906738-B For treating new dibasic 3,4-diaminourea-3-cyclobutane-1,2-dione compounds of chemokine mediated disease 高德美研究及发展公司 2016-09-07 — — CN disclosed
US-9388149-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-07-12 — — US disclosed
US-9388149-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-07-12 — — US disclosed
EP-2771329-B1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RES & DEV (FR) 2016-03-16 — — EP disclosed
US-20140296254-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-02 — — US disclosed
US-20140296254-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-02 — — US disclosed
WO-2013061004-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-02 — — 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 (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-20160362403-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CCL2, CCR1, CCL11 CXCR1 10/4885CXCR2 9/4885MAPT 3529/4885
US-20140296254-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CCL2, CCL11, CCR1 CXCR1 11/4885CXCR2 9/4885MAPT 3331/4885

“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.

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