SCHEMBL903397

SCHEMBL903397

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nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CTSK P43235 2/20 0.35
CTSS P25774 1/20 0.35
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA2 P00918 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL25721686 1.00 CYP2D6 (0.41) CYP2D6CTSKCTSSHDAC3HDAC1
SCHEMBL21065977 1.00 CYP2D6 (0.41) CYP2D6CTSKCTSSHDAC3HDAC1
SCHEMBL14350539 1.00 CYP2D6 (0.41) CYP2D6CTSKCTSSHDAC3HDAC1
Hydrochloric Acid SCHEMBL5656221 0.99 CYP2D6 (0.40) CYP2D6CTSKCTSSHDAC3HDAC1
Hydrochloric Acid SCHEMBL21066070 0.99 CYP2D6 (0.40) CYP2D6CTSKCTSSHDAC3HDAC1
SCHEMBL5565359 0.86 CYP2D6 (0.51) CYP2D6CTSKCTSSHDAC3HDAC1
SCHEMBL14350548 0.86 CYP2D6 (0.51) CYP2D6CTSKCTSSHDAC3HDAC1
SCHEMBL15044399 0.86 TSHR (0.31)
Hydrochloric Acid SCHEMBL5565353 0.85 CYP2D6 (0.50) CYP2D6CTSKCTSSHDAC3HDAC1
SCHEMBL24065096 0.83 GAA (0.39)

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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346968-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS AGENSYS, INC. (US) 2023-11-02 US disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
US-11633500-B2 Antibody drug conjugates (ADC) that bind to CD37 proteins AGENSYS, INC. (US) 2023-04-25 US disclosed
US-20230071763-A1 AURISTATIN-RELATED COMPOUNDS, CONJUGATED AURISTATIN-RELATED COMPOUNDS, AND METHODS OF USE THEREOF CYTOMX THERAPEUTICS INC (US) 2023-03-09 US disclosed
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 US disclosed
EP-3607996-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2023-01-04 EP disclosed
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-12-06 US disclosed
EP-4087855-A1 AURISTATIN-RELATED COMPOUNDS, CONJUGATED AURISTATIN-RELATED COMPOUNDS, AND METHODS OF USE THEREOF CytomX Therapeutics, Inc. (US) 2022-11-16 EP disclosed
CN-114981287-A Auristatin-related compounds, conjugated auristatin compounds, and methods of use thereof 西托姆克斯治疗公司 2022-08-30 CN disclosed
US-11236076-B2 Reaction medium containing water-surfactant mixture NOVARTIS AG (CH) 2022-02-01 US disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012123423-A1 N-CARBOXYALKYL-AURISTATINS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 WO disclosed
WO-2012041805-A1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 WO disclosed
US-20120078028-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS SEAGEN INC. 2012-03-29 US disclosed
WO-2011154359-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-15 WO disclosed
US-20110217321-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 161P2F10B PROTEINS AGENSYS, INC. 2011-09-08 US disclosed
US-20100330107-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 24P4C12 PROTEINS AGENSYS, INC. (US) 2010-12-30 US disclosed
US-7423116-B2 Pentapeptide compounds and uses related thereto SEATTLE GENETICS INC. (US) 2008-09-09 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 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 (10 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-20100330107-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 24P4C12 PROTEINS CD2BP2, IGSF11, PA2G4 CYP2D6 2524/4885CTSK 4272/4885CTSS 4407/4885
US-20110217321-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 161P2F10B PROTEINS CD2BP2, IGSF11, EPB41L2 CYP2D6 3648/4885CTSK 3863/4885CTSS 4066/4885
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 CYP2D6 990/4885CTSK 1361/4885CTSS 1652/4885
US-20230071763-A1 AURISTATIN-RELATED COMPOUNDS, CONJUGATED AURISTATIN-RELATED COMPOUNDS, AND METHODS OF USE THEREOF AURKC, AURKA, AURKB CYP2D6 4787/4885CTSK 954/4885CTSS 1433/4885
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR CYP2D6 757/4885CTSK 3323/4885CTSS 3232/4885
US-11236076-B2 Reaction medium containing water-surfactant mixture SRR, PHOSPHO1, NAPEPLD CYP2D6 165/4885CTSK 826/4885CTSS 749/4885
US-11633500-B2 Antibody drug conjugates (ADC) that bind to CD37 proteins SIGLEC7, FUT7, SLC17A5 CYP2D6 414/4885CTSK 2186/4885CTSS 1740/4885
US-20230346968-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS IGSF11, CD2BP2, PA2G4 CYP2D6 2347/4885CTSK 3811/4885CTSS 3794/4885
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters ALDH7A1, BCAT1, BCAT2 CYP2D6 285/4885CTSK 2415/4885CTSS 1951/4885
US-20120078028-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS IGSF11, CD2BP2, ADCK5 CYP2D6 2452/4885CTSK 3844/4885CTSS 3779/4885

“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.