SCHEMBL4186470

SCHEMBL4186470

CSc1ccc(NCc2ccco2)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HPGD P15428 4/20 0.59
KDM4E B2RXH2 3/20 0.57
KDM6B O15054 1/20 0.57
KDM4A O75164 1/20 0.57
KDM5C P41229 1/20 0.57
KDM4D Q6B0I6 1/20 0.57
KDM4C Q9H3R0 1/20 0.57
APP P05067 8/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
HTR1A P08908 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
HSD11B1 P28845 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
SLC10A1 Q14973 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL5053292 0.82 KDM4E (0.59) ALDH1A1HPGDKDM4EKDM6BKDM4A
SCHEMBL13909029 0.79 KDM4E (0.55) ALDH1A1KDM4EKDM6BKDM4AKDM5C
SCHEMBL453628 0.78 KDM4E (0.68) ALDH1A1HPGDKDM4EKDM6BKDM4A
SCHEMBL9835718 0.77 MAPT (0.68) ALDH1A1KDM4EKDM6BKDM4AKDM5C
SCHEMBL9794678 0.77 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EKDM6BKDM4A
SCHEMBL14470798 0.75 APP (0.69) ALDH1A1HPGDKDM4EKDM6BKDM4A
SCHEMBL12450221 0.75 APP (0.56) ALDH1A1KDM4EKDM6BKDM4AKDM5C
SCHEMBL28603982 0.74 KDM4E (0.62) ALDH1A1HPGDKDM4EKDM6BKDM4A
SCHEMBL5053005 0.74 KDM4E (0.62) ALDH1A1HPGDKDM4EKDM6BKDM4A
SCHEMBL11815860 0.73 APP (0.66) ALDH1A1KDM4EKDM6BKDM4AKDM5C

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
US-20090060968-A1 INHIBITORS OF PHOSPHATASES SAUNDERS JEFFREY O 2009-03-05 US disclosed
US-20090060968-A1 INHIBITORS OF PHOSPHATASES SAUNDERS JEFFREY O 2009-03-05 US disclosed
US-7439249-B2 Inhibitors of phosphatases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-21 US disclosed
US-7439249-B2 Inhibitors of phosphatases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-21 US disclosed
EP-1583747-A2 INHIBITORS OF PHOSPHATASES Vertex Pharmaceuticals Incorporated (US) 2005-10-12 EP disclosed
US-20040186116-A1 such as 2-(7-acetylamino-1-furano-2-ylmethyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-succinic acid; for treatment of autoimmune diseases, proliferative diseases, angiogenic disorders, and/or cancers; catheters, prosthetics VERTEX PHARMACEUTICALS INCORPORATED 2004-09-23 US disclosed
WO-2004060878-A2 INHIBITORS OF PHOSPHATASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-22 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 (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-20090060968-A1 INHIBITORS OF PHOSPHATASES PPM1G, PPM1A, PPM1F ALDH1A1 3240/4885HPGD 2602/4885KDM4E 1488/4885
US-20040186116-A1 such as 2-(7-acetylamino-1-furano-2-ylmethyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-succinic acid; for treatment of autoimmune diseases, proliferative diseases, angiogenic disorders, and/or cancers; catheters, prosthetics CD47, FGF1, FGF2 ALDH1A1 390/4885HPGD 245/4885KDM4E 427/4885

“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.