Sugi Predict

Sugi Predict / Compounds / SCHEMBL194960

SCHEMBL194960

SCHEMBL194960

COc1ccc(CCl)c(Br)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.42
▸ CA1 P00915 7/20 0.42
▸ CA4 P22748 6/20 0.42
▸ CA6 P23280 5/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL27856838 0.82 CA2 (0.44) CA2CA1CA4CA6AOC3
SCHEMBL3891419 0.82 AOC3 (0.53) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3393633 0.81 CA2 (0.49) CA2CA1CA4CA6PTPN1
SCHEMBL30829272 0.81 CA2 (0.47) CA2CA1CA4CA6AOC3
SCHEMBL6805249 0.81 CA2 (0.42) CA2CA1CA4CA6AOC3
SCHEMBL147850 0.81 CA2 (0.47) CA2CA1CA4CA6AOC3
SCHEMBL31681745 0.80 BCHE (0.49) SMN1; SMN2POLBKDM4E
SCHEMBL11212134 0.78 AOC3 (0.42) AOC3MEN1KMT2ASMN1; SMN2POLB
SCHEMBL8793827 0.78 AOC3 (0.42) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL30068243 0.78 TAAR1 (0.50) AOC3CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 — — US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 — — US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 — — WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 — — 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 (3 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 CA2 3868/4885CA1 4698/4885CA4 4049/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA2 1379/4885CA1 3802/4885CA4 413/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA2 1626/4885CA1 4003/4885CA4 667/4885

“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.