SCHEMBL5096723

SCHEMBL5096723

Cc1cc(C(=O)NC(c2ccsc2)c2nc3cc(Cl)ccc3[nH]2)ccc1C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 6/20 0.46
S1PR1 P21453 4/20 0.46
HRH4 Q9H3N8 5/20 0.38
HRH3 Q9Y5N1 3/20 0.38
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX12 P18054 1/20 0.35
APOBEC3A P31941 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH1 P35367 1/20 0.35
PTGS2 P35354 1/20 0.35
F10 P00742 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL5097248 0.92 S1PR3 (0.46) S1PR3S1PR1HRH4HRH3HRH1
SCHEMBL5103713 0.90 S1PR3 (0.49) S1PR3S1PR1HRH4HRH3CNR1
SCHEMBL3002137 0.89 S1PR3 (0.44) S1PR3S1PR1HRH4HRH3MEN1
SCHEMBL14177391 0.89 S1PR3 (0.44) S1PR3S1PR1HRH4HRH3MEN1
SCHEMBL5110271 0.88 S1PR1 (0.42) S1PR3S1PR1HRH4HRH3MEN1
SCHEMBL5109828 0.85 MEN1 (0.40) S1PR3S1PR1HRH4HRH3MEN1
SCHEMBL2990960 0.84 TDP1 (0.47) HRH4HRH3MEN1ALDH1A1KMT2A
SCHEMBL2990956 0.84 TDP1 (0.47) HRH4HRH3MEN1ALDH1A1KMT2A
SCHEMBL5099630 0.84 TDP1 (0.47) HRH4HRH3MEN1ALDH1A1KMT2A
SCHEMBL5109670 0.84 MEN1 (0.40) S1PR3S1PR1HRH4HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US claimed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 S1PR3 4319/4885S1PR1 4316/4885HRH4 589/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 S1PR3 4229/4885S1PR1 3706/4885HRH4 922/4885

“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.