SCHEMBL17129602

SCHEMBL17129602

COCCOc1cc(C(=O)OC)ccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
NOTUM Q6P988 1/20 0.54
MAPT P10636 6/20 0.51
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 3/20 0.46
TTR P02766 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
MDH1 P40925 1/20 0.45
MDH2 P40926 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45

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
SCHEMBL2934574 0.92 TDP1 (0.52) L3MBTL1TDP1NOTUMMAPTALDH1A1
SCHEMBL26048876 0.88 ALDH1A1 (0.55) L3MBTL1TDP1NOTUMMAPTALDH1A1
SCHEMBL25314236 0.88 TDP1 (0.57) L3MBTL1TDP1MAPTALDH1A1LMNA
SCHEMBL17991551 0.88 TDP1 (0.54) L3MBTL1TDP1NOTUMMAPTALDH1A1
SCHEMBL1055820 0.87 MAPT (0.54) L3MBTL1TDP1MAPTALDH1A1RAB9A
SCHEMBL9478194 0.86 L3MBTL1 (0.56) L3MBTL1TDP1NOTUMMAPTALDH1A1
SCHEMBL17991550 0.86 NOTUM (0.59) L3MBTL1TDP1NOTUMMAPTALDH1A1
SCHEMBL2966044 0.86 NOTUM (0.55) L3MBTL1TDP1NOTUMMAPTALDH1A1
SCHEMBL23792950 0.86 TSHR (0.50) ALDH1A1TSHRHPGDKMT2AHTT
SCHEMBL14391927 0.84 CA12 (0.57) L3MBTL1TDP1MAPTALDH1A1LMNA

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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
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
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 (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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 L3MBTL1 2331/4885TDP1 75/4885NOTUM 4501/4885
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 L3MBTL1 4668/4885TDP1 902/4885NOTUM 2329/4885
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 L3MBTL1 4668/4885TDP1 902/4885NOTUM 2329/4885

“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.