SCHEMBL17234844

SCHEMBL17234844

CC(=O)CC[C@@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(O)c3n2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
TYMS P04818 2/20 0.63
POLB P06746 2/20 0.63
HPGD P15428 2/20 0.63
KMT2A Q03164 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
GAA P10253 1/20 0.63
AKR1B1 P15121 1/20 0.63
TSHR P16473 1/20 0.63
PTGS2 P35354 1/20 0.63
DHFR P00374 9/20 0.62
TLR4 O00206 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
GLA P06280 1/20 0.55
HMGB1 P09429 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL12243056 1.00 KDM4E (0.63) KDM4EMEN1ALDH1A1TYMSPOLB
SCHEMBL14008776 1.00 KDM4E (0.63) KDM4EMEN1ALDH1A1TYMSPOLB
Folic Acid SCHEMBL28622715 0.94 KDM4E (0.70) KDM4EMEN1ALDH1A1TYMSPOLB
SCHEMBL19543324 0.94 DHFR (0.56) KDM4EMEN1ALDH1A1TYMSPOLB
Folic Acid SCHEMBL6470174 0.93 KDM4E (0.73) KDM4EMEN1ALDH1A1TYMSPOLB
Folic Acid SCHEMBL3878 0.93 KDM4E (0.73) KDM4EMEN1ALDH1A1TYMSPOLB
Folic Acid SCHEMBL12148554 0.93 KDM4E (0.73) KDM4EMEN1ALDH1A1TYMSPOLB
Folic Acid SCHEMBL29677832 0.93 KDM4E (0.73) KDM4EMEN1ALDH1A1TYMSPOLB
SCHEMBL26422283 0.92 DHFR (0.73) KDM4EMEN1ALDH1A1TYMSPOLB
Folic Acid SCHEMBL23388805 0.92 KDM4E (0.72) KDM4EMEN1ALDH1A1TYMSPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. 2023-05-25 US disclosed
WO-2023076586-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
WO-2023076534-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
US-9884886-B2 Disulfide masked prodrug compositions and methods MERCK SHARP & DOHME (US) 2018-02-06 US disclosed
US-20150315226-A1 DISULFIDE MASKED PRODRUG COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 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 (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-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS PNMT, HNMT, NNMT KDM4E 2549/4885MEN1 163/4885ALDH1A1 1109/4885
US-20150315226-A1 DISULFIDE MASKED PRODRUG COMPOSITIONS AND METHODS GSS, GSTP1, GSTM2 KDM4E 4148/4885MEN1 3802/4885ALDH1A1 375/4885

“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.