SCHEMBL16202113

SCHEMBL16202113

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
CTSK P43235 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
MCL1 Q07820 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL14532720 0.84 ALDH1A1 (0.32) ALDH1A1ATMMAPTNPSR1
SCHEMBL16205774 0.81 ACHE (0.32) ALDH1A1ATMMAPTNPSR1CTSK
SCHEMBL13519736 0.80 AAK1 (0.42) ALDH1A1ATMMAPTNPSR1HPGD
SCHEMBL16205781 0.79 PDK2 (0.32) ALDH1A1MAPT
SCHEMBL7020025 0.78 CA12 (0.38) SMN1; SMN2
SCHEMBL13682813 0.78 CA12 (0.38) SMN1; SMN2
SCHEMBL5058562 0.77 ALDH1A1 (0.35) ALDH1A1ATMMAPTNPSR1HPGD
SCHEMBL23542745 0.76 AAK1 (0.30)
SCHEMBL17293178 0.76 FAAH (0.36) ALDH1A1ATMMAPTHPGDCTSK
SCHEMBL26449216 0.76 NFKB1 (0.35) HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989088-B1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PF MEDICAMENT (FR) 2017-09-27 EP disclosed
US-9669106-B2 Conjugate of monomethyl auristatin F and trastuzumab and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2017-06-06 US disclosed
WO-2017072196-A1 COMPOSITION FOR THE TREATMENT OF IGF-1R EXPRESSING CANCER PIERRE FABRE MEDICAMENT (FR) 2017-05-04 WO disclosed
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-04-27 US disclosed
US-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 US disclosed
WO-2016173682-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-11-03 WO disclosed
US-20160083420-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2016-03-24 US disclosed
US-20160068567-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2016-03-10 US disclosed
US-20160068566-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2016-03-10 US disclosed
WO-2015162291-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2015-10-29 WO 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-2014174064-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
WO-2014174062-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 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 (5 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 ALDH1A1 982/4885ATM 2759/4885MAPT 1611/4885
US-20160083420-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, AURKC, DHCR7 ALDH1A1 2654/4885ATM 2955/4885MAPT 3407/4885
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER AURKC, AURKA, EGFR ALDH1A1 1383/4885ATM 888/4885MAPT 1882/4885
US-20160068566-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR ALDH1A1 2976/4885ATM 3268/4885MAPT 3803/4885
US-20160068567-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS CDK10, AURKC, AURKA ALDH1A1 2793/4885ATM 2728/4885MAPT 2624/4885

“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.