SCHEMBL13664878

SCHEMBL13664878

CNCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 7/20 0.50
GAA P10253 3/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL13763095 0.86 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL680247 0.86 ALDH1A1 (0.67) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL41372 0.83 ALDH1A1 (0.82) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL917443 0.82 GAA (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19GAA
SCHEMBL12352605 0.82 KMT2A (0.52) ALDH1A1CYP3A4KMT2AGAANPC1
SCHEMBL25316358 0.82 CA2 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL552911 0.82 L3MBTL1 (0.56) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3974728 0.81 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8193580 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL30230195 0.79 MMP13 (0.60) ALDH1A1KMT2ASMN1; SMN2MEN1CA1

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-20170275621-A1 CHIRAL CONTROL WAVE LIFE SCIENCES USA, INC. 2017-09-28 US disclosed
US-9180680-B2 Water-based ink, ink jet recording method, ink cartridge, recording unit, ink jet recording apparatus, and image forming method CANON KABUSHIKI KAISHA (JP) 2015-11-10 US disclosed
US-20150029241-A1 WATER-BASED INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, INK JET RECORDING APPARATUS, AND IMAGE FORMING METHOD CANON KK (JP) 2015-01-29 US disclosed
US-7605192-B2 carbon black particles are modified with acrylic acid-styrene copolymer; reliability; improve rubbing resistance or marker resistance CANON KABUSHIKI KAISHA (JP) 2009-10-20 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-20170275621-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 ALDH1A1 2867/4885CYP3A4 4157/4885CYP2C9 3989/4885

“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.