SCHEMBL5104029

SCHEMBL5104029

C#Cc1cc(C(=O)O)ccc1C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.43
L3MBTL3 Q96JM7 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TP53BP1 Q12888 1/20 0.42
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL1713016 0.79 KDM4E (0.47) ALDH1A1POLBTSHRL3MBTL1MAPT
SCHEMBL5096987 0.78 HPGD (0.55) HPGDALDH1A1POLBTSHRMAPK1
Hydrochloric Acid SCHEMBL3453575 0.77 KDM4E (0.46) ALDH1A1POLBTSHRL3MBTL1MAPT
SCHEMBL5103701 0.77 L3MBTL3 (0.62) HPGDALDH1A1POLBTSHRMAPK1
SCHEMBL5110700 0.77 POLB (0.66) HPGDALDH1A1POLBTSHRL3MBTL3
SCHEMBL29606862 0.76 CPS1 (0.54) HPGDALDH1A1POLBTSHRMAPK1
SCHEMBL28355488 0.76 CPS1 (0.54) HPGDALDH1A1POLBTSHRMAPK1
SCHEMBL5100284 0.73 HPGD (0.51) HPGDALDH1A1POLBTSHRMAPK1
SCHEMBL5111190 0.73 MEN1 (0.63) HPGDALDH1A1TSHRL3MBTL1GAA
SCHEMBL11067978 0.73 KDM4E (0.55) HPGDALDH1A1POLBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 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 HPGD 1396/4885ALDH1A1 328/4885POLB 1780/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 HPGD 1671/4885ALDH1A1 143/4885POLB 2283/4885

“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.