SCHEMBL7041073

SCHEMBL7041073

CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)c3ccc(Cl)cc3C2=O)C1.O=C(O)c1ccc(Cl)cc1C(=O)O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MDM2 Q00987 1/20 0.43
PAK1 Q13153 1/20 0.41
STS P08842 3/20 0.41
TP53 P04637 1/20 0.41
NR3C1 P04150 1/20 0.40
USP30 Q70CQ3 2/20 0.40
MAPK8 P45983 2/20 0.39
TNF P01375 2/20 0.39
LITAF Q99732 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL7041080 0.98 TSHR (0.46) TSHRMEN1KMT2AUSP2HPGD
SCHEMBL7041077 0.93 TSHR (0.43) TSHRMEN1KMT2AUSP2HPGD
SCHEMBL656323 0.92 MDM2 (0.48) TSHRMEN1KMT2AMDM2PAK1
SCHEMBL656324 0.92 MDM2 (0.48) TSHRMEN1KMT2AMDM2PAK1
SCHEMBL24424726 0.79 L3MBTL1 (0.60) TP53USP30L3MBTL1EGFRSRC
SCHEMBL4418493 0.79 L3MBTL1 (0.60) TP53USP30L3MBTL1EGFRSRC
SCHEMBL4411954 0.79 L3MBTL1 (0.60) TP53USP30L3MBTL1EGFRSRC
SCHEMBL1025817 0.73 TMEM97 (0.54) MEN1KMT2AHSD17B10USP30L3MBTL1
SCHEMBL1029343 0.72 L3MBTL1 (0.70) TSHRKMT2ASTSTP53L3MBTL1
SCHEMBL31352046 0.72 L3MBTL1 (0.70) TSHRKMT2ASTSTP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 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 (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-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 TSHR 972/4885MEN1 4716/4885KMT2A 4568/4885

“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.