SCHEMBL5097101

SCHEMBL5097101

Cc1cc(C(=O)O)ccc1C(=O)N1CC=CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.50
MYC P01106 4/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PTPN7 P35236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.42
GRM1 Q13255 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 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
SCHEMBL5096987 0.83 HPGD (0.55) PLA2G7TSHRKMT2AGAASMN1; SMN2
SCHEMBL5110766 0.82 TSHR (0.50) PLA2G7TSHRTDP1SMN1; SMN2ALDH1A1
SCHEMBL5097057 0.82 MBTD1 (0.48) PLA2G7MYCTSHRTDP1ALDH1A1
SCHEMBL5111147 0.80 PLA2G7 (0.47) PLA2G7MYCTSHRGAASMN1; SMN2
SCHEMBL25193860 0.80 SIGMAR1 (0.53) MYCESR1ALOX15PTPN7HSD17B10
SCHEMBL5104049 0.78 CYP2C9 (0.48) PLA2G7
SCHEMBL16994746 0.78 PLA2G7 (0.44) PLA2G7HSD17B10TSHRKMT2AGAA
SCHEMBL5100654 0.76 PLA2G7 (0.43) PLA2G7ALDH1A1
SCHEMBL5097087 0.76 ALDH1A1 (0.46) MYCALDH1A1TP53HPGD
SCHEMBL29399874 0.76 MYC (0.58) MYCESR1ALOX15PTPN7HSD17B10

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-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-6838565-B2 Substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-04 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
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM (DE) 2004-07-15 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 (3 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 PLA2G7 254/4885MYC 4826/4885ESR1 2085/4885
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions F11, F12, SERPINC1 PLA2G7 40/4885MYC 4842/4885ESR1 2891/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 PLA2G7 412/4885MYC 4866/4885ESR1 3156/4885

“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.