SCHEMBL1965568

SCHEMBL1965568

O=C(COc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1OCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(C(=O)c2ccccc2)cc1.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GALR3 O60755 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PKM P14618 1/20 0.41
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1965566 0.84 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL3102000 0.79 ATM (0.50) KMT2AALDH1A1LMNAHPGDRAB9A
SCHEMBL2743027 0.78 ATM (0.51) KMT2AALDH1A1LMNAHPGDRAB9A
SCHEMBL10299029 0.73 ATM (0.51) KMT2AALDH1A1LMNARAB9AMAPT
SCHEMBL7941760 0.71 MLYCD (0.70) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL11803278 0.69 MEN1 (0.56) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL10448453 0.67 CA12 (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5625621 0.66 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL5623365 0.65 MAPT (0.56) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL9557142 0.65 TSHR (0.60) KMT2AMEN1ALDH1A1LMNAHPGD

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
WO-2011072199-A2 WATER-SOLUBLE DEGRADABLE PHOTO-CROSSLINKER SURMODICS, INC. (US) 2011-06-16 WO disclosed
US-20110144373-A1 WATER-SOLUBLE DEGRADABLE PHOTO-CROSSLINKER SURMODICS, INC. (US) 2011-06-16 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-20110144373-A1 WATER-SOLUBLE DEGRADABLE PHOTO-CROSSLINKER PLG, USP28, DCLRE1A KMT2A 3247/4885MEN1 3394/4885ALDH1A1 1181/4885

“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.