SCHEMBL1335583

SCHEMBL1335583

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nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA4 P22748 4/20 0.42
CTSL P07711 1/20 0.39
CA2 P00918 1/20 0.37
FOLH1 Q04609 2/20 0.34
EPHX2 P34913 1/20 0.33
SLC22A16 Q86VW1 1/20 0.32
CRAT P43155 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30

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
SCHEMBL6236316 0.95 CA4 (0.42) CA4CTSLCA2FOLH1EPHX2
SCHEMBL7789641 0.95 CA4 (0.46) CA4CTSLCA2FOLH1EPHX2
Potassium Ion SCHEMBL8761405 0.95 CA4 (0.42) CA4CTSLCA2FOLH1EPHX2
SCHEMBL2911531 0.95 CA4 (0.46) CA4CTSLCA2FOLH1EPHX2
SCHEMBL5688858 0.95 CA4 (0.42) CA4CTSLCA2FOLH1EPHX2
SCHEMBL6925266 0.95 CA4 (0.42) CA4CTSLCA2FOLH1EPHX2
SCHEMBL9119304 0.95 CA4 (0.42) CA4CTSLCA2FOLH1EPHX2
SCHEMBL2916274 0.93 CA4 (0.44) CA4CTSLCA2FOLH1EPHX2
SCHEMBL30338181 0.93 CA4 (0.44) CA4CTSLCA2FOLH1EPHX2
SCHEMBL29354905 0.93 CA4 (0.44) CA4CTSLCA2FOLH1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945191-B1 METAL COORDINATED COMPOSITIONS SYNTHONICS INC (US) 2017-11-08 EP disclosed
US-20150080433-A1 METAL COORDINATED COMPOSITIONS SYNTHONICS, INC. 2015-03-19 US disclosed
US-20130184447-A1 METAL COORDINATED COMPOSITIONS SYNTHONICS, INC. (US) 2013-07-18 US disclosed
US-8389726-B2 Metal coordinated compositions SYNTHONICS, INC. (US) 2013-03-05 US disclosed
US-20110275792-A1 METAL COORDINATED COMPOSITIONS SYNTHONICS, INC. 2011-11-10 US disclosed
US-7989440-B2 Metal coordinated compositions SYNTHONICS, INC. (US) 2011-08-02 US disclosed
US-7799937-B2 Metal coordinated compositions SYNTHONICS, INC. (US) 2010-09-21 US disclosed
US-20090143338-A1 Metal coordinated compositions PICCARIELLO THOMAS 2009-06-04 US disclosed
EP-1945191-A2 METAL COORDINATED COMPOSITIONS Synthonics, Inc. (US) 2008-07-23 EP disclosed
US-20080015352-A1 Metal coordinated compositions HTERT3, INC. 2008-01-17 US disclosed
WO-2007050181-A2 METAL COORDINATED COMPOSITIONS SYNTHONICS, INC. (US) 2007-05-03 WO disclosed
US-20060141054-A1 Metal coordinated compositions SYNTHONICS, INC. 2006-06-29 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 (1 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-20080015352-A1 Metal coordinated compositions SLC30A6, SLC39A7, SLC39A14 CA4 253/4885CTSL 1225/4885CA2 177/4885

“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.