Sugi Predict

Sugi Predict / Compounds / SCHEMBL9989089

SCHEMBL9989089

SCHEMBL9989089

O=Cc1cccc2c(-c3ccc(C(F)(F)F)cc3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.42
▸ KIF11 P52732 4/20 0.41
▸ TNKS O95271 4/20 0.38
▸ PARP1 P09874 2/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP4B1 P13584 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ CYP2A7 P20853 1/20 0.37
▸ CYP3A7 P24462 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
SCHEMBL416843 0.84 KIF11 (0.50) KIF11NR1H3ALOX5APFEN1CYP1A2
SCHEMBL12074872 0.83 GPR84 (0.38) KIF11TNKSPARP1NR1H3CYP2C9
Ammonia Solution, Strong SCHEMBL6558306 0.83 KIF11 (0.48) KIF11NR1H3ALOX5APFEN1CYP1A2
SCHEMBL14893065 0.78 FBP1 (0.54) ENPP1KIF11NR1H3CYP1A2CYP3A4
SCHEMBL9988736 0.78 FBP1 (0.54) ENPP1KIF11NR1H3CYP1A2CYP3A4
SCHEMBL12074876 0.77 PTGS2 (0.38) CYP2A6KDR
SCHEMBL9990065 0.77 PTGS2 (0.40) PARP1CYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL30679661 0.76 PTPN1 (0.44) ALOX5APFEN1CYP1A1CYP1A2CYP1B1
SCHEMBL28224945 0.75 KIF11 (0.52) ENPP1KIF11TNKSCYP2C9CYP2C19
SCHEMBL23371352 0.73 CYP2D6 (0.43) KIF11CYP2D6CYP2C9BACE1MAOB

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 ENPP1 2808/4885KIF11 4036/4885TNKS 3327/4885

“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.