SCHEMBL16396604

SCHEMBL16396604

Nc1c(Br)cccc1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.58
ABCB11 O95342 2/20 0.58
PTGS1 P23219 2/20 0.58
LMNA P02545 1/20 0.58
ADORA1 P30542 1/20 0.58
AKR1B1 P15121 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 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
SCHEMBL7583347 0.86 AKR1B1 (0.58) PTGS2ABCB11PTGS1LMNAADORA1
SCHEMBL10712603 0.84 PTGS2 (0.51) PTGS2ABCB11PTGS1LMNAADORA1
SCHEMBL7532937 0.82 ABCB11 (0.68) PTGS2ABCB11PTGS1LMNAADORA1
SCHEMBL2875381 0.80 AKR1B1 (0.52) PTGS2ABCB11PTGS1LMNAADORA1
SCHEMBL1000848 0.80 PTGS2 (0.53) PTGS2ABCB11PTGS1LMNAADORA1
SCHEMBL4540934 0.80 PTGS2 (0.61) PTGS2ABCB11PTGS1LMNAADORA1
SCHEMBL286410 0.79 AKR1B1 (0.61) PTGS2AKR1B1TDP1KDM4ECYP1A2
SCHEMBL29674787 0.79 AKR1B1 (0.61) PTGS2AKR1B1TDP1KDM4ECYP1A2
SCHEMBL30565097 0.79 AKR1B1 (0.61) PTGS2AKR1B1TDP1KDM4ECYP1A2
SCHEMBL28287356 0.78 AKR1B1 (0.67) PTGS2ABCB11PTGS1LMNAADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB PTGS2 2603/4885ABCB11 855/4885PTGS1 2215/4885

“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.