SCHEMBL17779243

SCHEMBL17779243

Nc1cc([C@@H]2CCCCN2)c(O)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.38
ACMSD Q8TDX5 2/20 0.36
PARP1 P09874 5/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
IDO1 P14902 1/20 0.34
PPM1B O75688 1/20 0.33
IP6K1 Q92551 1/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
GFER P55789 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 3/20 0.32

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 0.96 PRKAB2 (0.37) IKBKBACMSDPARP1CDK5CDK5R1
SCHEMBL17779319 0.81 PARP1 (0.35) PARP1IDO1PPM1BIP6K1KDM4E
SCHEMBL17779339 0.78 PRKACA (0.36) IDO1PPM1BKDM4EKMT2AGFER
SCHEMBL17779312 0.75 IKBKB (0.38) IKBKBACMSDIDO1PPM1BKDM4E
SCHEMBL17779328 0.75 IKBKB (0.41) IKBKBACMSDPARP1IDO1PPM1B
SCHEMBL17779241 0.74 IKBKB (0.42) IKBKBACMSDPARP1
SCHEMBL17779310 0.73 PRKAB2 (0.37) IKBKBACMSDPARP1PRKAB2PRKAG1
SCHEMBL17774746 0.72 IKBKB (0.44) IKBKBPARP1CDK5CDK5R1KMT2A
SCHEMBL28923701 0.70 PARP1 (0.42) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28288790 0.70 KDM4E (0.41) PARP1PRKAB2PRKAG1PRKAA2PRKAA1

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 IKBKB 3089/4885ACMSD 189/4885PARP1 2408/4885

“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.