SCHEMBL17129287

SCHEMBL17129287

CC(C)c1ccc(C(O)C(=O)NCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ RAB9A P51151 3/20 0.55
▸ NAAA Q02083 2/20 0.49
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ EPHX1 P07099 2/20 0.40
▸ S1PR1 P21453 2/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL13813 0.77 HPGD (0.69) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL17129633 0.76 FFAR2 (0.50) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL17129288 0.74 NAAA (0.45) SMN1; SMN2RAB9ANAAAALDH1A1KMT2A
SCHEMBL20976388 0.74 NAAA (0.39) SMN1; SMN2RAB9ANAAAALDH1A1MEN1
SCHEMBL10169454 0.72 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACYP3A4TSHRALDH1A1
SCHEMBL28708501 0.71 — —
SCHEMBL49978 0.71 — —
SCHEMBL4949428 0.71 — —
SCHEMBL19205721 0.70 NAAA (0.77) NAAALMNA
SCHEMBL7724357 0.70 NAAA (0.66) SMN1; SMN2NAAATSHRALDH1A1HPGD

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 3 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
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 SMN1; SMN2 4001/4885RAB9A 682/4885NAAA 4576/4885
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 SMN1; SMN2 4001/4885RAB9A 682/4885NAAA 4576/4885

“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.

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