Sugi Predict

Sugi Predict / Compounds / SCHEMBL2705005

SCHEMBL2705005

SCHEMBL2705005

Cc1ccc(-c2coc(COc3ccc(F)c(C(N)=O)c3F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.36
▸ ENPP3 O14638 2/20 0.36
▸ ENPP1 P22413 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ GSTP1 P09211 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ ADRB3 P13945 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ SQOR Q9Y6N5 1/20 0.32
▸ IKBKB O14920 1/20 0.32

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
SCHEMBL203408 0.92 HSD17B1 (0.33) S1PR1GSTP1ADRB1ADRB3ADRB2
SCHEMBL2706695 0.91 MAPT (0.37) S1PR1MAPTGSTP1S1PR3
SCHEMBL201433 0.90 ENPP3 (0.39) S1PR1ENPP3ENPP1L3MBTL1RAB9A
SCHEMBL2707354 0.89 AKR1B1 (0.36) ENPP3ENPP1ALDH1A1TSHRFFAR1
SCHEMBL19471098 0.88 ADRB2 (0.31) S1PR1ADRB1ADRB3ADRB2S1PR3
SCHEMBL201364 0.81 TSHR (0.55) L3MBTL1ALDH1A1RAB9AMAPTTSHR
SCHEMBL201510 0.81 PPARA (0.42) FFAR1
SCHEMBL13732923 0.80 S1PR1 (0.37) S1PR1MAPTPARP1S1PR3
SCHEMBL13731435 0.80 S1PR1 (0.39) S1PR1ENPP3ENPP1L3MBTL1ALDH1A1
SCHEMBL2707296 0.80 RAB9A (0.54) L3MBTL1ALDH1A1RAB9AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 — — US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 — — US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 — — US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 — — US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 — — US 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 (4 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 S1PR1 776/4885ENPP3 3522/4885ENPP1 2295/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 S1PR1 405/4885ENPP3 3044/4885ENPP1 2146/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 S1PR1 993/4885ENPP3 3086/4885ENPP1 1830/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 S1PR1 405/4885ENPP3 3044/4885ENPP1 2146/4885

“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.