SCHEMBL3327306

SCHEMBL3327306

COC(=O)/C=C/c1sc(-c2ccc(F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.38
ESR1 P03372 1/20 0.37
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
TUBB1 Q9H4B7 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL3327312 1.00 IKBKB (0.38) IKBKBESR1TUBB4ATUBBTUBA3C
SCHEMBL3326900 0.90 CCNC (0.38) ESR1CCNCCDK8ALDH1A1KDM4E
SCHEMBL3327333 0.87 PTPN1 (0.36) IKBKBESR1KDM4ENPC1RAB9A
SCHEMBL3327323 0.87 PTPN1 (0.36) IKBKBESR1KDM4ENPC1RAB9A
SCHEMBL3326395 0.80 PDPK1 (0.35) IKBKBRAB9AMEN1JAK2EIF2AK2
SCHEMBL3325836 0.79 IKBKB (0.38) IKBKBESR1ALDH1A1PKMKDM4E
SCHEMBL3325841 0.79 IKBKB (0.38) IKBKBESR1ALDH1A1PKMKDM4E
SCHEMBL3324569 0.78 IKBKB (0.38) IKBKBESR1TUBB4ATUBBTUBA3C
SCHEMBL3324565 0.78 IKBKB (0.38) IKBKBESR1TUBB4ATUBBTUBA3C
SCHEMBL3329383 0.78 CCNC (0.34) IKBKBCCNCCDK8ALDH1A1KDM4E

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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US claimed
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US 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 (1 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 IKBKB 3041/4885ESR1 1427/4885TUBB4A 1896/4885

“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.