SCHEMBL1355883

SCHEMBL1355883

CCCS(=O)(=O)NC(=O)c1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
KDM1A O60341 1/20 0.39
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
PLK1 P53350 1/20 0.34
KCNA5 P22460 1/20 0.34
GABRA5 P31644 1/20 0.34
PPARG P37231 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL8388244 0.92 PTPN1 (0.50) PTPN1HTR7KDM4EPLK1GABRA5
SCHEMBL1355726 0.88 PTPN1 (0.39) PTPN1KDM1AKDM4EKMT2ACA12
SCHEMBL7973501 0.83 PTPN1 (0.53) PTPN1KDM1AKDM4EKMT2ACA12
SCHEMBL7984813 0.81 HDAC1 (0.53) PTPN1KDM1AKDM4EKMT2AHDAC6
SCHEMBL7973227 0.80 HDAC3 (0.53) PTPN1KDM1AKDM4EKMT2ACA1
SCHEMBL7987817 0.80 HTR7 (0.51) PTPN1HTR7KMT2A
SCHEMBL7973491 0.80 FLT1 (0.56) PTPN1KDM4EKMT2ACA12CA9
SCHEMBL7973254 0.80 PLK1 (0.56) PTPN1KDM1APLK1
SCHEMBL7983583 0.79 HDAC1 (0.56) KMT2ACA1HDAC8HDAC6
SCHEMBL1355291 0.79 CTSB (0.39) PTPN1HTR7CA1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 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 (2 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 PTPN1 898/4885KDM1A 1586/4885HTR7 4081/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 PTPN1 898/4885KDM1A 1586/4885HTR7 4081/4885

“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.