SCHEMBL4871790

SCHEMBL4871790

CC(=O)Nc1nc(CCc2ccc(NC(=O)O)cc2)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.53
PTPN1 P18031 1/20 0.49
AOC3 Q16853 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
LCK P06239 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CHRM4 P08173 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL4988337 0.90 AOC3 (0.50) SCDPTPN1AOC3RXFP1RAB9A
SCHEMBL14019521 0.90 AOC3 (0.50) SCDPTPN1AOC3RXFP1RAB9A
SCHEMBL4986379 0.89 PPARA (0.53) SCDCHRM4
Hydrochloric Acid SCHEMBL4883911 0.89 AOC3 (0.51) SCDPTPN1AOC3RXFP1RAB9A
SCHEMBL4875867 0.89 AOC3 (0.52) SCDAOC3LMNAPOLBMEN1
SCHEMBL4873471 0.89 AOC3 (0.52) SCDPTPN1AOC3ALDH1A1SMN1; SMN2
SCHEMBL4867359 0.89 PPARA (0.47) SCDRAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4992515 0.89 SCD (0.48) SCDPTPN1AOC3RXFP1RAB9A
SCHEMBL27626542 0.88 GLS (0.47) SCDPTPN1AOC3RXFP1RAB9A
SCHEMBL4984508 0.88 AOC3 (0.43) AOC3RXFP1RAB9ANPC1POLB

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-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-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 (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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885PTPN1 530/4885AOC3 782/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 SCD 818/4885PTPN1 2760/4885AOC3 85/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885PTPN1 530/4885AOC3 782/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB SCD 1094/4885PTPN1 1362/4885AOC3 590/4885

“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.