SCHEMBL6543591

SCHEMBL6543591

Cc1ccc(S(=O)(=O)ON2CCC(Cc3ccccc3)(C(=O)N3CCCCCC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.42
FKBP1A P62942 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL6543251 1.00 ALDH1A1 (0.48) ALDH1A1HPGDNPSR1HSD17B10FKBP1A
SCHEMBL6543184 0.99 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1HSD17B10FKBP1A
SCHEMBL6544418 0.97 ALDH1A1 (0.44) ALDH1A1HPGDNPSR1HSD17B10FKBP1A
SCHEMBL6544455 0.91 GAA (0.42) ALDH1A1HPGDNPSR1FKBP1AMEN1
SCHEMBL6543966 0.90 L3MBTL1 (0.44) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL7744635 0.82 KMT2A (0.41) ALDH1A1HPGDNPSR1HSD17B10FKBP1A
SCHEMBL6543248 0.80 ALDH1A1 (0.49) ALDH1A1HPGDNPSR1HSD17B10FKBP1A
SCHEMBL6543584 0.80 ALDH1A1 (0.49) ALDH1A1HPGDNPSR1HSD17B10FKBP1A
SCHEMBL6543179 0.79 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1HSD17B10FKBP1A
SCHEMBL6544415 0.77 SMYD3 (0.45) ALDH1A1HPGDNPSR1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 US disclosed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US disclosed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US disclosed
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 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 (2 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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 ALDH1A1 3554/4885HPGD 2080/4885NPSR1 29/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 ALDH1A1 3554/4885HPGD 2080/4885NPSR1 29/4885

“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.