SCHEMBL2090902

SCHEMBL2090902

CC[C@@](N)(C=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KCNN4 O15554 2/20 0.41
TAAR1 Q96RJ0 2/20 0.39
CYP2D6 P10635 1/20 0.37
KIF11 P52732 4/20 0.37
MAPT P10636 1/20 0.36
NR3C2 P08235 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC6A2 P23975 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
SCHEMBL12494871 0.81 KIF11 (0.42) KCNN4KIF11
SCHEMBL497840 0.79 KCNN4 (0.41) CYP1A2KMT2AKCNN4TAAR1CYP2D6
SCHEMBL2089243 0.75 CYP1A2 (0.70) CYP1A2KMT2AMEN1KCNN4CYP2D6
SCHEMBL305912 0.75 CYP1A2 (0.70) CYP1A2KMT2AMEN1KCNN4CYP2D6
SCHEMBL2089245 0.75 CYP1A2 (0.70) CYP1A2KMT2AMEN1KCNN4CYP2D6
SCHEMBL1148767 0.74 KCNN4 (0.40) KMT2AMEN1KCNN4TAAR1KIF11
SCHEMBL8484590 0.74 KCNN4 (0.40) KMT2AMEN1KCNN4TAAR1KIF11
Water SCHEMBL8329268 0.73 CYP1A2 (0.68) CYP1A2KMT2AMEN1KCNN4CYP2D6
Hydrochloric Acid SCHEMBL1630962 0.73 CYP1A2 (0.68) CYP1A2KMT2AMEN1KCNN4CYP2D6
SCHEMBL11502866 0.73 CYP1A2 (0.53) CYP1A2KMT2AMEN1KCNN4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4508413-B2 2010-07-21 JP claimed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US claimed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US claimed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US claimed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP claimed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 WO claimed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US disclosed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 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 (4 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-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO CYP1A2 3272/4885KMT2A 4211/4885MEN1 3561/4885
US-20030153505-A1 Dolastatin 15 derivatives DBI, DDOST, BDKRB1 CYP1A2 3218/4885KMT2A 4054/4885MEN1 3701/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO CYP1A2 3272/4885KMT2A 4211/4885MEN1 3561/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO CYP1A2 3272/4885KMT2A 4211/4885MEN1 3561/4885

“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.