SCHEMBL7783353

SCHEMBL7783353

O=[N+]([O-])c1ccccc1CCS(=O)(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TSHR P16473 1/20 0.59
HPGD P15428 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41

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
SCHEMBL270126 0.84 ALDH1A1 (0.61) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL31424902 0.84 ALDH1A1 (0.61) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL10628482 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL1477561 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL8103680 0.82 ALDH1A1 (0.59) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL3202573 0.80 ALDH1A1 (0.72) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL7782688 0.78 MAPK1 (0.47) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL3590165 0.78 CYP1A2 (0.54) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL5185195 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL5186181 0.77 ALDH1A1 (0.74) ALDH1A1TSHRHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-0901501-B1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2001-10-17 EP disclosed
US-6153744-A LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON A DNA CHIP WOLFGANG PFLEIDERER (DE) 2000-11-28 US disclosed
EP-0901501-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1999-03-17 EP disclosed
WO-1997044345-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1997-11-27 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 (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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ALDH1A1 1904/4885TSHR 1731/4885HPGD 2117/4885

“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.