SCHEMBL2650422

SCHEMBL2650422

COC(=O)c1ccccc1C[S+]([O-])c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.53
HIF1A Q16665 2/20 0.48
TSHR P16473 4/20 0.46
HSD17B10 Q99714 3/20 0.45
CFTR P13569 1/20 0.45
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
SLC6A3 Q01959 1/20 0.43
TSPO P30536 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2652155 0.82 FOLH1 (0.50) ALDH1A1HIF1ATSHRMAPTALOX15
SCHEMBL8954678 0.77 HIF1A (0.42) ALDH1A1LMNAHIF1ATSHRHSD17B10
SCHEMBL8368182 0.77 HIF1A (0.42) ALDH1A1LMNAHIF1ATSHRHSD17B10
SCHEMBL8368183 0.77 HIF1A (0.42) ALDH1A1LMNAHIF1ATSHRHSD17B10
SCHEMBL2650417 0.77 TSHR (0.53) ALDH1A1TSHRMAPTKMT2ASLC6A3
SCHEMBL18801447 0.76 NCEH1 (0.46) ALDH1A1HIF1ATSHRMAPTKMT2A
SCHEMBL10913663 0.76 SLC6A3 (0.51) ALDH1A1LMNATSHRMAPTKMT2A
SCHEMBL10360804 0.76 ALDH1A1 (0.77) ALDH1A1LMNAHIF1ATSHRHSD17B10
SCHEMBL70322 0.76 ALDH1A1 (0.66) ALDH1A1LMNAHIF1ATSHRHSD17B10
SCHEMBL156281 0.76 ALDH1A1 (0.66) ALDH1A1LMNAHIF1ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015757-A1 Novel Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2007-01-18 US disclosed
WO-2005058845-A2 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-06-30 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-20070015757-A1 Novel Glucagon Antagonists/Inverse Agonists GLP1R, GCGR, GIPR ALDH1A1 4836/4885LMNA 4123/4885HIF1A 3079/4885

“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.