SCHEMBL5100284

SCHEMBL5100284

O=C(O)c1ccc(C(=O)N2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MLYCD O95822 3/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TTR P02766 1/20 0.44
NR1I2 O75469 1/20 0.43
CACNA1B Q00975 1/20 0.43
MGLL Q99685 1/20 0.43
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6554705 0.87 NR1I2 (0.55) HPGDTSHRMEN1KMT2AMLYCD
SCHEMBL5104049 0.85 CYP2C9 (0.48) TTRNR1I2CACNA1BMGLLCYP2C9
SCHEMBL6822196 0.81 KDM4E (0.46) HPGDTSHRMEN1KMT2AMLYCD
SCHEMBL7026695 0.81 CES2 (0.50) HPGDTSHRPOLBALDH1A1TTR
SCHEMBL10155940 0.79 HPGD (0.48) HPGDTSHRMEN1KMT2AMLYCD
SCHEMBL6556756 0.79 HSD11B1 (0.48) HPGDTSHRMEN1KMT2AMLYCD
Hydrochloric Acid SCHEMBL23302229 0.79 CES2 (0.48) HPGDTSHRPOLBALDH1A1TTR
SCHEMBL29208981 0.79 CES2 (0.48) HPGDTSHRPOLBALDH1A1TTR
SCHEMBL28514601 0.79 CES2 (0.48) HPGDTSHRPOLBALDH1A1TTR
Hydrochloric Acid SCHEMBL9230114 0.79 CES2 (0.48) HPGDTSHRPOLBALDH1A1TTR

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 6 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
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO 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 HPGD 1396/4885TSHR 682/4885MEN1 1667/4885
US-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 HPGD 569/4885TSHR 4008/4885MEN1 1596/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 HPGD 1671/4885TSHR 1049/4885MEN1 1638/4885

“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.