SCHEMBL17779241

SCHEMBL17779241

Nc1cc(C2CCCNC2)c(O)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.42
CHUK O15111 2/20 0.42
CSF1R P07333 1/20 0.42
BTK Q06187 1/20 0.42
HTR2A P28223 5/20 0.39
HTR2C P28335 3/20 0.39
ACMSD Q8TDX5 2/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL17779310 0.92 PRKAB2 (0.37) IKBKBCHUKCSF1RBTKHTR2A
SCHEMBL17779312 0.83 IKBKB (0.38) IKBKBCHUKACMSD
SCHEMBL17779238 0.78 PRKAB2 (0.37) IKBKBACMSDPARP1
SCHEMBL17779319 0.77 PARP1 (0.35) PARP1
SCHEMBL17779243 0.74 IKBKB (0.38) IKBKBACMSDPARP1
SCHEMBL17779322 0.74 MTNR1A (0.38)
SCHEMBL17774745 0.73 IKBKB (0.46) IKBKBCHUKHTR2AHTR2C
SCHEMBL16446714 0.73 PARP1 (0.49) IKBKBCHUKCSF1RBTKHTR2A
SCHEMBL23216456 0.72 HTR2A (0.52) HTR2AHTR2C
SCHEMBL31227514 0.69 PARP1 (0.45) IKBKBCHUKCSF1RBTKPARP1

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 3089/4885CHUK 3427/4885CSF1R 3944/4885

“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.