SCHEMBL17686995

SCHEMBL17686995

[CH2]CN(CC)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.39
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 1/20 0.32
SSTR4 P31391 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL14157466 0.89 CA14 (0.42) CA14HDAC6HDAC1HDAC2HDAC3
SCHEMBL1962792 0.87 MEN1 (0.45) CA14HDAC6HDAC1HDAC2MEN1
SCHEMBL27312324 0.84 CA14 (0.41) CA14HDAC6HDAC1HDAC2MEN1
SCHEMBL8089459 0.81 CA14 (0.45) CA14HDAC6HDAC1HDAC2MEN1
SCHEMBL15725091 0.81 CA14 (0.40) CA14HDAC6HDAC1HDAC2MEN1
SCHEMBL10246511 0.80 CA14 (0.37) CA14HDAC6HDAC1HDAC2MEN1
SCHEMBL10267170 0.79 CA12 (0.43) CA14HDAC6HDAC1HDAC2MEN1
SCHEMBL20989891 0.79 CA14 (0.39) CA14HDAC6HDAC1HDAC2MEN1
SCHEMBL21012200 0.79 CA14 (0.39) CA14HDAC6HDAC1HDAC2MEN1
SCHEMBL19302428 0.79 CA14 (0.39) CA14HDAC6HDAC1HDAC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885328-B Sulfonamide compounds as sodium channel blockers and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 CN disclosed
CN-107001279-B CXCR7 receptor modulators 爱杜西亚药品有限公司 2020-10-20 CN disclosed
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
CN-105263924-B Cxcr7 receptor modulators 爱杜西亚制药有限公司 2018-10-19 CN disclosed
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
CN-107001279-A Cxcr7 receptor modulators 埃科特莱茵药品有限公司 2017-08-01 CN disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
CN-105263924-A Cxcr7 receptor modulators ACTELION PHARMACEUTICALS LTD 2016-01-20 CN 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 CA14 4211/4885HDAC6 1710/4885HDAC1 1239/4885
US-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 CA14 4197/4885HDAC6 1900/4885HDAC1 1256/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 CA14 3629/4885HDAC6 2263/4885HDAC1 1467/4885

“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.