SCHEMBL4969016

SCHEMBL4969016

COC(=O)[C@H](C)OC(=O)CN1C(=S)[C@@H](C(C)C)Oc2c(C(C)C)cccc21

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
AGTR1 P30556 1/20 0.32
MEN1 O00255 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NLRP3 Q96P20 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4968392 1.00 KMT2A (0.32) KMT2AALDH1A1AGTR1MEN1TDP1
SCHEMBL10359732 0.90 ALDH1A1 (0.33) KMT2AALDH1A1AGTR1HPGDTSHR
SCHEMBL10359098 0.90 ALDH1A1 (0.33) KMT2AALDH1A1AGTR1HPGDTSHR
SCHEMBL10359000 0.90 POLB (0.38) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL10359001 0.90 POLB (0.38) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL10359099 0.82 MEN1 (0.32) KMT2AALDH1A1MEN1
SCHEMBL4972064 0.82 KMT2A (0.33) KMT2AMEN1TDP1
SCHEMBL1219564 0.82 KMT2A (0.33) KMT2AMEN1TDP1
SCHEMBL4969187 0.82 KMT2A (0.33) KMT2AMEN1TDP1
SCHEMBL29427697 0.82 KMT2A (0.33) KMT2AMEN1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 KMT2A 1121/4885ALDH1A1 142/4885AGTR1 760/4885

“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.