SCHEMBL7106715

SCHEMBL7106715

COc1[c]occ1-c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.40
PDPK1 O15530 1/20 0.37
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1B1 Q16678 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
ECE1 P42892 1/20 0.34
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33
TUBB4B P68371 3/20 0.33
TUBB3 Q13509 3/20 0.33
TUBB2A Q13885 3/20 0.33
TUBB8 Q3ZCM7 3/20 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
SCHEMBL7113750 0.75 SMPD3 (0.44) SMPD3PDPK1CYP1A1CYP1A2CYP1B1
SCHEMBL7111056 0.74 CLK4 (0.37)
SCHEMBL7114096 0.74 ADRA1A (0.36) SMPD3PDPK1CYP1A1CYP1A2CYP1B1
SCHEMBL7110942 0.73 PDPK1 (0.40) SMPD3PDPK1CYP1A1CYP1A2CYP1B1
SCHEMBL7109779 0.71 ECE1 (0.40) SMPD3PDPK1CYP1A1CYP1A2CYP1B1
SCHEMBL7446349 0.69 KDM4E (0.42) CYP1A2RAB9A
SCHEMBL5396495 0.68 ADRA1D (0.52) SMPD3PDPK1CYP1A2ECE1TUBB4A
SCHEMBL29715238 0.68 ADRA1D (0.52) SMPD3PDPK1CYP1A2ECE1TUBB4A
SCHEMBL7451095 0.68 SMPD3 (0.40) SMPD3PDPK1CYP1A1CYP1A2CYP1B1
SCHEMBL7107722 0.67 TUBB4A (0.36) SMPD3PDPK1CYP1A1CYP1A2CYP1B1

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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 US disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 SMPD3 849/4885PDPK1 3966/4885CYP1A1 1477/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 SMPD3 1542/4885PDPK1 3673/4885CYP1A1 3130/4885

“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.