Sugi Predict

Sugi Predict / Compounds / SCHEMBL9989124

SCHEMBL9989124

SCHEMBL9989124

OB(O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 1/20 0.46
▸ ORAI2 Q96SN7 1/20 0.46
▸ ORAI3 Q9BRQ5 1/20 0.46
▸ TRPV6 Q9H1D0 1/20 0.46
▸ MGLL Q99685 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.40
▸ BAD Q92934 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.38
▸ ESRRG P62508 1/20 0.37
▸ ERCC1 P07992 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ PTPN1 P18031 1/20 0.34
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33

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
SCHEMBL26179620 0.92 MGLL (0.57) ORAI1ORAI2ORAI3TRPV6MGLL
SCHEMBL2551749 0.83 CA2 (0.61) ORAI1ORAI2ORAI3TRPV6MGLL
SCHEMBL8387580 0.81 MGLL (0.70) ORAI1ORAI2ORAI3TRPV6MGLL
SCHEMBL19423241 0.80 BCL2L1 (0.48) CA1CA2BCL2L1BADESR1
SCHEMBL2944704 0.80 BCL2L1 (0.48) CA1CA2BCL2L1BADESR1
SCHEMBL15626527 0.79 MGLL (0.57) MGLLCA1CA2BCL2L1ESR2
SCHEMBL22480630 0.79 CA1 (0.70) ORAI1ORAI2ORAI3TRPV6MGLL
SCHEMBL2555625 0.78 CYP11B2 (0.45) ORAI1ORAI2ORAI3TRPV6MGLL
SCHEMBL806612 0.78 CA2 (0.67) MGLLCA1CA2ESR1CA4
SCHEMBL18519111 0.77 MGLL (0.59) ORAI1ORAI2ORAI3TRPV6MGLL

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — WO disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 ORAI1 4069/4885ORAI2 3815/4885ORAI3 2218/4885

“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.