SCHEMBL4877036

SCHEMBL4877036

CCOC(=O)N1CCN(C(=O)c2sc(NC(C)=O)nc2CCc2ccc(NC(=N)N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.42
ABL1 P00519 1/20 0.42
POLB P06746 1/20 0.42
RIN1 Q13671 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AOC3 Q16853 5/20 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
SCHEMBL14410694 0.93 AOC3 (0.42) CYP2C19AOC3
SCHEMBL4867378 0.90 AOC3 (0.42) MAPTMEN1KMT2AAOC3
SCHEMBL14019532 0.89 NPC1 (0.47) KDM4EHPGDMAPTPOLBTDP1
Hydrochloric Acid SCHEMBL4871169 0.89 NPC1 (0.46) KDM4EHPGDMAPTPOLBTDP1
SCHEMBL14044987 0.89 AOC3 (0.41) AOC3
SCHEMBL14019530 0.88 AOC3 (0.41) AOC3
Hydrochloric Acid SCHEMBL4875644 0.87 AOC3 (0.42) AOC3
SCHEMBL14417520 0.86 AOC3 (0.43) POLBKMT2AAOC3
SCHEMBL14019531 0.86 AOC3 (0.40) AOC3
Hydrochloric Acid SCHEMBL4876764 0.85 AOC3 (0.44) POLBKMT2AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (6 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB CYP2C19 4707/4885KDM4E 3439/4885HPGD 883/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP2C19 4466/4885KDM4E 3386/4885HPGD 3652/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 CYP2C19 1940/4885KDM4E 4639/4885HPGD 2882/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 CYP2C19 4513/4885KDM4E 2818/4885HPGD 947/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP2C19 4466/4885KDM4E 3386/4885HPGD 3652/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB CYP2C19 4870/4885KDM4E 4108/4885HPGD 2815/4885

“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.