SCHEMBL4397266

SCHEMBL4397266

O=C1c2ccccc2C(=O)N1CCCSc1ccc(O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.77
CYP2C19 P33261 2/20 0.77
CYP2D6 P10635 1/20 0.77
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL7919296 0.91 RAB9A (0.76) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL10458108 0.87 CYP1A2 (1.00) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL17266522 0.83 CYP1A2 (0.90) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL8618993 0.82 CYP1A2 (0.77) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL8914866 0.81 CYP1A2 (0.88) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL9084215 0.81 CYP1A2 (0.88) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL13698952 0.79 CYP1A2 (0.68) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL5708657 0.79 CYP1A2 (0.68) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL14846522 0.78 CYP1A2 (0.67) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL18263348 0.78 CYP1A2 (0.67) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572908-B2 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2009-08-11 US disclosed
US-7572908-B2 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2009-08-11 US disclosed
US-7572908-B2 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2009-08-11 US disclosed
WO-2007112264-A2 CLEAVABLE LINKERS FOR POLYNUCLEOTIDES AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO disclosed
US-20070224603-A1 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. 2007-09-27 US disclosed
US-20070224603-A1 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. 2007-09-27 US disclosed
US-20070224603-A1 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. 2007-09-27 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-20070224603-A1 Cleavable linkers for polynucleotides PNKP, PCNA, TYMP CYP1A2 4806/4885CYP2C19 4766/4885CYP2D6 4134/4885

“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.