Sugi Predict

Sugi Predict / Compounds / SCHEMBL17129304

SCHEMBL17129304

SCHEMBL17129304

CC(C)c1ccc(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.40
▸ LPL P06858 5/20 0.40
▸ LIPG Q9Y5X9 5/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ HIF1A Q16665 3/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SNCA P37840 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
SCHEMBL17129394 0.88 DGAT1 (0.41) DGAT1LPLLIPGFFAR1CA1
SCHEMBL17129410 0.85 DGAT1 (0.41) DGAT1LPLLIPGCA1CA2
SCHEMBL17129278 0.85 AAK1 (0.40) DGAT1LPLLIPGCA1CA2
SCHEMBL17129317 0.83 DGAT1 (0.40) DGAT1LPLLIPGCA1CA2
SCHEMBL17128914 0.80 DGAT1 (0.53) DGAT1LPLLIPGCA1CA2
SCHEMBL21234415 0.80 DGAT1 (0.53) DGAT1LPLLIPGCA1CA2
SCHEMBL17128959 0.80 DGAT1 (0.41) DGAT1LPLLIPGCA1CA2
SCHEMBL17129344 0.79 HIF1A (0.44) DGAT1LPLLIPGCA1CA2
SCHEMBL17129333 0.78 DGAT1 (0.52) DGAT1LPLLIPGCA1CA2
SCHEMBL27420873 0.76 HDAC1 (0.44) FFAR1MAOBACACANPC1RAB9A

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-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-05-07 — — US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 — — US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 — — US disclosed
WO-2015144799-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-01 — — 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 (2 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-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors ROS1, NOX1, NOX5 DGAT1 2213/4885LPL 4314/4885LIPG 4428/4885
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS ROS1, NOX1, NOX5 DGAT1 2213/4885LPL 4314/4885LIPG 4428/4885

“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.