SCHEMBL5595576

SCHEMBL5595576

COC(=O)CCN(C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
TSHR P16473 4/20 0.50
CA12 O43570 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
KDM5A P29375 2/20 0.40
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SLC1A1 P43005 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL5595816 0.98 KMT2A (0.63) KMT2AMEN1TSHRCA12CA14
SCHEMBL19085527 0.86 TSHR (0.52) KMT2AMEN1TSHRCA12CA14
SCHEMBL23845942 0.83 KMT2A (0.46) KMT2AMEN1TSHRCA12CA14
SCHEMBL5366870 0.82 KMT2A (0.53) KMT2AMEN1TSHRCA12CA14
SCHEMBL1781402 0.82 KMT2A (0.53) KMT2AMEN1TSHRCA12CA14
SCHEMBL8395382 0.80 KMT2A (0.56) KMT2AMEN1TSHRCA12CA14
SCHEMBL17232315 0.80 KMT2A (0.56) KMT2AMEN1TSHRCA12CA14
SCHEMBL3207325 0.79 PHF8 (0.43) KDM5ALMNA
SCHEMBL27579458 0.79 KMT2A (0.50) KMT2AMEN1TSHRCA12CA14
SCHEMBL6405176 0.77 TSHR (0.42) KMT2AMEN1TSHRCA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072246-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed
EP-1064254-B1 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIV SASKATCHEWAN (CA) 2007-10-17 EP disclosed
US-6984754-B1 Aliphatic amino carboxylic and amino phosphonic acids amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2006-01-10 US disclosed
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US disclosed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP disclosed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 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 (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-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents CHAMP1, PYCR1, PRMT5 KMT2A 3371/4885MEN1 1622/4885TSHR 1907/4885

“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.