SCHEMBL7663221

SCHEMBL7663221

COc1ccc(C(=O)Nc2ccc(CS(=O)(=O)Cc3ccc(NC(=O)c4ccc(OC)c(S(=O)(=O)N5CCOCC5)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
MAPK1 P28482 4/20 0.69
LMNA P02545 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
KMT2A Q03164 6/20 0.66
MEN1 O00255 4/20 0.66
HSD17B10 Q99714 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
KDM4E B2RXH2 2/20 0.66
TSHR P16473 1/20 0.66
GAA P10253 1/20 0.66
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
MAPT P10636 2/20 0.61
USP2 O75604 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HTT P42858 1/20 0.60
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL7663896 0.94 ALDH1A1 (0.72) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7664872 0.90 ALDH1A1 (0.68) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7665092 0.88 LMNA (0.67) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7666243 0.88 L3MBTL1 (0.73) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7661172 0.86 MAPK1 (0.64) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7666544 0.86 KMT2A (0.68) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7666465 0.86 KMT2A (0.68) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7664936 0.86 KMT2A (0.68) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7661277 0.85 RAB9A (0.67) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A
SCHEMBL7671453 0.85 MAPK1 (0.60) ALDH1A1MAPK1LMNASMN1; SMN2KMT2A

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
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO claimed
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-15 US disclosed
US-6355633-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 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-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists FSHR, GNRHR, LHCGR ALDH1A1 3990/4885MAPK1 1934/4885LMNA 3330/4885

“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.