SCHEMBL16397304

SCHEMBL16397304

CC(C)(C)OC(=O)NCc1cccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.55
FNTB P49356 2/20 0.55
NR1H4 Q96RI1 2/20 0.53
HDAC1 Q13547 1/20 0.53
PGGT1B P53609 1/20 0.52
BRD4 O60885 1/20 0.50
CREBBP Q92793 1/20 0.50
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
EPHX2 P34913 1/20 0.49
CFD P00746 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
GLS O94925 3/20 0.47
NR4A2 P43354 1/20 0.46
AOC3 Q16853 1/20 0.46
KMO O15229 1/20 0.45

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
SCHEMBL184425 0.92 NR1H4 (0.61) NR1H4HDAC1BRD4GLS
SCHEMBL5549803 0.91 HDAC1 (0.60) NR1H4HDAC1BRD4CREBBPCTSB
SCHEMBL2570189 0.91 HDAC1 (0.63) NR1H4HDAC1CTSBCTSSCTSK
SCHEMBL18664426 0.89 HDAC1 (0.60) HDAC1BRD4CREBBPCTSBCTSS
SCHEMBL30504293 0.89 HDAC1 (0.56) HDAC1BRD4CREBBPCTSBCTSS
SCHEMBL3415738 0.89 CHRM3 (0.51) FNTAFNTBHDAC1PGGT1BBRD4
SCHEMBL16410213 0.88 HDAC1 (0.48) FNTAFNTBNR1H4HDAC1PGGT1B
SCHEMBL18049332 0.87 ACACB (0.53) FNTAFNTBNR1H4HDAC1PGGT1B
SCHEMBL16410240 0.85 BRD4 (0.53) HDAC1BRD4CREBBPCTSBCTSS
SCHEMBL21481481 0.85 AKR1C3 (0.51) NR1H4GLSNR4A2KMO

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 4 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
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 FNTA 85/4885FNTB 398/4885NR1H4 901/4885

“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.