SCHEMBL5120103

SCHEMBL5120103

COC(=O)CN(c1csc(-c2cccc(N(C(N)=O)C3CCCCC3)c2)c1Cl)S(N)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 6/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
GAA P10253 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL5112961 0.79 NR1I2 (0.42) MAPK1PKMTSHRALDH1A1KMT2A
SCHEMBL5128420 0.78 PTPN1 (0.43) PKMTSHRALDH1A1MAPT
SCHEMBL5123269 0.75 PTPN1 (0.43) TSHR
SCHEMBL5117056 0.68 ALDH1A1 (0.41) MAPK1PKMTSHRALDH1A1KMT2A
SCHEMBL5127605 0.67 PTPN1 (0.46) ALDH1A1
SCHEMBL5118668 0.66 ALDH1A1 (0.46) MAPK1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL5123712 0.65 CA12 (0.39) MAPK1PKMTSHRALDH1A1KDM4E
SCHEMBL5128143 0.65 NR1I2 (0.44) MAPK1PKMTSHRALDH1A1KMT2A
SCHEMBL5117004 0.64 PTPN1 (0.39) TSHR
SCHEMBL13877882 0.63 PTPN1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR MAPK1 587/4885PKM 2564/4885TSHR 682/4885

“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.