SCHEMBL16205774

SCHEMBL16205774

CCCCOC(=O)[C@H](C(C)C)N(C)CCCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GPR88 Q9GZN0 1/20 0.32
PDK2 Q15119 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATM Q13315 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL16205781 0.90 PDK2 (0.32) ALDH1A1GPR88PDK2MAPT
SCHEMBL17573255 0.84 GPR88 (0.32) GPR88
SCHEMBL16202113 0.81 ALDH1A1 (0.37) ALDH1A1CTSKMAPTNPSR1ATM
SCHEMBL16197714 0.81 CA14 (0.34) GPR88CTSKCA14
SCHEMBL16197719 0.81 CA14 (0.34) GPR88CTSKCA14
SCHEMBL21302057 0.80 CTSK (0.33) CTSKCA14
SCHEMBL17203563 0.79 CTSK (0.32) GPR88CTSKCA14
SCHEMBL16205764 0.79 CTSK (0.32) GPR88CTSKCA14
SCHEMBL21699514 0.78 L3MBTL1 (0.46) ALDH1A1NPSR1
SCHEMBL17567263 0.78 L3MBTL1 (0.46) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 US disclosed
US-20160068566-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2016-03-10 US disclosed
WO-2015162293-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2015-10-29 WO disclosed
WO-2014174060-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 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 (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-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 ACHE 1540/4885MAOA 2624/4885MAOB 2441/4885
US-20160068566-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR ACHE 4443/4885MAOA 4425/4885MAOB 3817/4885

“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.