SCHEMBL3880596

SCHEMBL3880596

CC(C)c1ccc(CCNC(=O)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
OPRK1 P41145 1/20 0.45
F13A1 P00488 1/20 0.42

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
SCHEMBL12935941 0.86 POLB (0.54) EPHX1ALDH1A1MAPTKDM4EUSP2
SCHEMBL3837907 0.84 CA12 (0.49) ALDH1A1KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL14141265 0.82 NPC1 (0.59) ALDH1A1MAPTKDM4EPOLBRAB9A
SCHEMBL1094537 0.82 CNR1 (0.57) MAPTLMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL4700346 0.82 ESRRG (0.54) ALDH1A1KDM4EPOLBSMN1; SMN2F13A1
SCHEMBL12964200 0.82 EPHX1 (0.50) EPHX1ALDH1A1MAPTKDM4EUSP2
SCHEMBL3833704 0.82 MLYCD (0.46) ALDH1A1KDM4ELMNAPOLBRAB9A
Hydrochloric Acid SCHEMBL7334449 0.81 ESRRG (0.52) ALDH1A1KDM4EPOLBSMN1; SMN2F13A1
SCHEMBL14441217 0.80 KDM4E (0.66) EPHX1ALDH1A1MAPTKDM4EUSP2
SCHEMBL6433557 0.80 KDM4E (0.61) ALDH1A1MAPTKDM4EPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589126-B2 5-amidino-2-hydroxybenzenesulfonamide derivatives, pharmaceutical compositions containing the same and intermediates for their preparation KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
US-7563822-B2 Agents for the prevention or treatment of renal diseases KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
EP-1331221-B1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THEIR PREPARATION KISSEI PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-7217832-B2 5-amidino-2-hydroxybenzenesulfonamide derivatives, pharmaceutical compositions containing the same and intermediates for their preparation KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-20070105829-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THEIR PREPARATION Kissei Pharmaceutical Co.,Ltd. 2007-05-10 US disclosed
US-7208524-B2 5-amidino-2-hydroxybenzenesulfonamide derivatives, pharmaceutical compositions containing the same and intermediates for their preparation KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-24 US disclosed
US-20060205812-A1 5-Amidino-2-hydroxybenzenesulfonamide derivatives, pharmaceutical compositions containing the same and intermediates for their preparation KISSEI PHARMACEUTICAL CO., LTD. 2006-09-14 US disclosed
US-20060116361-A1 5-Amidino-2-hydroxybenzenesulfonamide derivatives, pharmaceutical compositions containing the same and intermediates for their preparation KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-01 US disclosed
US-20050107354-A1 active ingredient a 5-amidino-2-hydroxybenzenesulfonamide derivative or a pharmaceutical acceptable salt thereof; excellent inhibitory effect on mesangial cell proliferation and decreasing effect on urine protein excretion KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-05-19 US disclosed
EP-1331221-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THEIR PREPARATION Kissei Pharmaceutical Co., Ltd. (JP) 2003-07-30 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 (4 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-20050107354-A1 active ingredient a 5-amidino-2-hydroxybenzenesulfonamide derivative or a pharmaceutical acceptable salt thereof; excellent inhibitory effect on mesangial cell proliferation and decreasing effect on urine protein excretion REN, GLS, GRB2 EPHX1 4602/4885ALDH1A1 3621/4885MAPT 4041/4885
US-20060205812-A1 5-Amidino-2-hydroxybenzenesulfonamide derivatives, pharmaceutical compositions containing the same and intermediates for their preparation F12, F2, F5 EPHX1 1070/4885ALDH1A1 3234/4885MAPT 4699/4885
US-20060116361-A1 5-Amidino-2-hydroxybenzenesulfonamide derivatives, pharmaceutical compositions containing the same and intermediates for their preparation F12, F2, F5 EPHX1 1070/4885ALDH1A1 3234/4885MAPT 4699/4885
US-20070105829-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THEIR PREPARATION F12, F2, F5 EPHX1 1070/4885ALDH1A1 3234/4885MAPT 4699/4885

“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.