SCHEMBL7667682

SCHEMBL7667682

CCOCCNc1ccc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4ccc(NCCOCC)c(S(=O)(=O)N5CCOCC5)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 5/20 0.53
TSHR P16473 4/20 0.53
MAPK1 P28482 3/20 0.53
USP2 O75604 3/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 2/20 0.53
MITF O75030 1/20 0.53
NTSR1 P30989 1/20 0.53
LMNA P02545 5/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ALOX12 P18054 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 3/20 0.48
DNMT1 P26358 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7667591 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7671379 0.94 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7671314 0.94 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7666465 0.81 KMT2A (0.68) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7666544 0.81 KMT2A (0.68) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7666320 0.81 LMNA (0.56) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7666246 0.81 LMNA (0.56) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7669200 0.81 MAPK1 (0.59) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7673053 0.81 MAPK1 (0.59) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL7658971 0.81 CNR2 (0.53) ALDH1A1SMN1; SMN2MAPTTSHRMAPK1

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
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-15 US claimed
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

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 3990/4885SMN1; SMN2 2927/4885MAPT 4858/4885

“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.