SCHEMBL100972

SCHEMBL100972

CC(C)/C=C/c1ccnc(C(=O)NCCS(=O)(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.34
PSMB8 P28062 2/20 0.34
LIPC P11150 1/20 0.34
KDR P35968 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DDR1 Q08345 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ULK1 O75385 1/20 0.32

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
SCHEMBL101338 0.85 SMN1; SMN2 (0.41) KDM4CKMT2AMEN1POLBKDR
SCHEMBL100588 0.79 ALDH1A1 (0.38)
SCHEMBL101551 0.79 METTL3 (0.31) HDAC1HDAC3HDAC6
SCHEMBL101516 0.76 TLR7 (0.33)
SCHEMBL101427 0.76 ALDH1A1 (0.38) KDM4E
SCHEMBL10111162 0.74 MAPK8 (0.33) POLBSMN1; SMN2
SCHEMBL21297672 0.73 LOXL2 (0.42) KMT2APOLBDDR1KDM4ESMN1; SMN2
SCHEMBL19976527 0.73 DDR1 (0.39) POLBPSMB8HDAC1DDR1EPHX2
SCHEMBL204326 0.70 DDR1 (0.42) KMT2AMEN1POLBPSMB8DDR1
SCHEMBL22328739 0.68 HPGD (0.37) POLBHDAC1ULK1

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-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 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-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR KDM4C 1244/4885KMT2A 3543/4885MEN1 3947/4885

“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.