SCHEMBL3973347

SCHEMBL3973347

CC(Cc1cc(F)ccc1F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.47
DPP9 Q86TI2 7/20 0.47
DPP7 Q9UHL4 7/20 0.46
DPP8 Q6V1X1 4/20 0.45
RIPK1 Q13546 1/20 0.43
KDM4E B2RXH2 1/20 0.42
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AGBL2 Q5U5Z8 1/20 0.40

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
SCHEMBL6940174 0.86 MAOB (0.43) DPP4DPP7RIPK1KDM4EAPAF1
SCHEMBL24915820 0.85 KDM4E (0.41) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL5813062 0.84 DPP4 (0.46) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL8231920 0.80 DPP4 (0.45) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL9292038 0.80 USP2 (0.47) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL9292034 0.80 USP2 (0.47) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL188142 0.79 USP2 (0.54) DPP4DPP9DPP7DPP8KDM4E
SCHEMBL188143 0.79 USP2 (0.54) DPP4DPP9DPP7DPP8KDM4E
SCHEMBL29430355 0.79 USP2 (0.54) DPP4DPP9DPP7DPP8KDM4E
SCHEMBL31498017 0.79 ITGB2 (0.44) DPP4DPP9DPP7DPP8RIPK1

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
EP-0921117-B2 Acylguanidines SANOFI AVENTIS DEUTSCHLAND (DE) 2009-01-07 EP disclosed
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them HOECHST AKTIENGESELLSCHAFT 2004-03-04 US disclosed
EP-0921117-B1 Acylguanidines AVENTIS PHARMA GMBH (DE) 2003-12-10 EP disclosed
US-6632840-B1 Inhibiting the Na+/H+ exchanger, treating at least one of arrhythmias and shock HOECHST AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-6436999-B1 REACTING GUANIDINE AND CARBOCYCLIC ACIDS, TO FORM COMPOUNDS LIKE BIS(3-METHYLSULFONYL-4-I-PROPYLBENZOYL)GUANIDINE, USED FOR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS AND AS PRODRUGS FOR SODIUM CHANNEL MODULATORS TO CONTROL BLOOD PRESSURE HOECHST AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
EP-0921117-A2 Acylguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
EP-0640587-A1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP 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 (1 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-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them ADRA1B, ADRA1A, HYOU1 DPP4 2413/4885DPP9 2830/4885DPP7 2143/4885

“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.