SCHEMBL7108445

SCHEMBL7108445

COc1n[c][nH]c1-c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.40
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
ECE1 P42892 1/20 0.34
PDPK1 O15530 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 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
SCHEMBL7111016 0.73 CLK4 (0.36)
SCHEMBL7451243 0.71 ADORA2A (0.42) SMPD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6798332 0.70 PDPK1 (0.33) PDPK1RAB9ALOXL2CYP2A6ADORA1
SCHEMBL7108744 0.69 SMPD3 (0.41) SMPD3ECE1PDPK1GABRA1GABRG2
SCHEMBL7107123 0.68 ECE1 (0.38) SMPD3ECE1CYP1A1CYP1A2CYP1B1
SCHEMBL7111261 0.68 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7109776 0.68 SMPD3 (0.40) SMPD3ECE1PDPK1GABRA1GABRG2
SCHEMBL7112026 0.68 SMPD3 (0.40) SMPD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7454668 0.68 KDM4E (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7108421 0.68 RECQL (0.44) CYP1A2

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 849/4885TUBB4A 866/4885TUBB 275/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 SMPD3 1542/4885TUBB4A 637/4885TUBB 281/4885

“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.