SCHEMBL4213740

SCHEMBL4213740

CN(C)S(=O)(=O)n1ccnc1CC(Cc1nccn1S(=O)(=O)N(C)C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNA5 P22460 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL2693461 0.79 TSHR (0.41) KMT2AMEN1TSHRHPGDALDH1A1
SCHEMBL2130266 0.79 KMT2A (0.34) KMT2AMEN1TSHRHPGDPOLB
SCHEMBL4213544 0.76 FGFR1 (0.39) TSHRKDM4EFGFR1FGFR2FGFR4
SCHEMBL4074571 0.73 MEN1 (0.43) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL4578218 0.73 FGFR1 (0.36) TSHRALDH1A1KDM4EFGFR1FGFR2
SCHEMBL13358949 0.72 FGFR1 (0.37) TSHRALDH1A1KDM4EMAPK1FGFR1
SCHEMBL4068215 0.72 FGFR1 (0.35) KMT2AMEN1TSHRPOLBNPC1
SCHEMBL2126522 0.71 KCNA5 (0.37) KMT2AMEN1POLBKCNA5FGFR1
SCHEMBL2127136 0.70 FGFR1 (0.37) TSHRMAPK1FGFR1FGFR2FGFR4
SCHEMBL4215152 0.70 SORD (0.42) TSHRALDH1A1KDM4EMAPK1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318931-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
US-8293896-B2 2012-10-23 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 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-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 KMT2A 3385/4885MEN1 2513/4885TSHR 2323/4885

“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.