SCHEMBL4479351

SCHEMBL4479351

O=S(=O)(c1ccc2cc[nH]c2c1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.58
TSHR P16473 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
PKM P14618 1/20 0.57
CASP1 P29466 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
HTR2C P28335 1/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 1/20 0.51

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
SCHEMBL5328688 0.84 PKM (0.64) TSHRKDM4EPKMALDH1A1GAA
Hydrochloric Acid SCHEMBL4888087 0.82 PKM (0.62) TSHRKDM4EPKMALDH1A1GAA
SCHEMBL31142569 0.79 GAA (0.57) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL20021982 0.77 PKM (0.89) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL29483657 0.77 PKM (0.89) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL12793245 0.77 POLB (0.88) APOBEC3GTSHRMEN1KMT2AKDM4E
SCHEMBL8413824 0.77 KDM4E (0.74) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL31142602 0.75 GAA (0.53) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL31129931 0.75 MCOLN3 (0.59) TSHRMEN1KMT2AKDM4EGAA
SCHEMBL8278490 0.75 MCOLN3 (0.59) TSHRMEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK APOBEC3G 3266/4885TSHR 4725/4885MEN1 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.