SCHEMBL17779339

SCHEMBL17779339

Nc1cc(C2COCCN2)c(O)cc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
PPM1B O75688 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
GFER P55789 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
IDO1 P14902 1/20 0.33
MAPT P10636 3/20 0.30
MEN1 O00255 2/20 0.30
THRB P10828 2/20 0.30
RECQL P46063 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 2/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL17779238 0.80 PRKAB2 (0.37) PPM1BKDM4EKMT2AGFERRXFP1
SCHEMBL17779319 0.78 PARP1 (0.35) PPM1BKDM4EKMT2AGFERRXFP1
SCHEMBL17779243 0.78 IKBKB (0.38) PPM1BKDM4EKMT2AGFERRXFP1
SCHEMBL17774761 0.73 PRKACA (0.39) PRKACAPRKACGPRKACBKDM4EKMT2A
SCHEMBL17779312 0.71 IKBKB (0.38) PPM1BKDM4EKMT2AGFERRXFP1
SCHEMBL17779328 0.70 IKBKB (0.41) PPM1BKDM4EKMT2AGFERRXFP1
SCHEMBL7073356 0.70 ALDH1A1 (0.39) PRKACAPRKACGPRKACBKDM4EMAPT
SCHEMBL29092115 0.69 CTSK (0.36) PRKACAPRKACGPRKACBMAPTALDH1A1
SCHEMBL17779310 0.69 PRKAB2 (0.37) PPM1BKDM4EKMT2AGFERRXFP1
SCHEMBL29105247 0.68 ALDH1A1 (0.45) KDM4EKMT2AMAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 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 (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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR PRKACA 2351/4885PRKACG 2080/4885PRKACB 2052/4885

“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.