SCHEMBL903575

SCHEMBL903575

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 1/20 0.47
DHFR P00374 1/20 0.47
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL20160081 1.00 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20346848 1.00 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Trifluoroacetic Acid SCHEMBL13731716 0.95 ALDH1A1 (0.48) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL903526 0.93 ALDH1A1 (0.45) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL15292153 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16197554 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16197553 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL18812052 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20454197 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27256763 0.93 MME (0.47) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178360-A2 AURISTATIN ANALOGS AND ANTIBODY CONJUGATES THEREOF AMBRX, INC. (US) 2024-08-29 WO disclosed
US-12036286-B2 Selective drug release from internalized conjugates of biologically active compounds SEAGEN INC. (US) 2024-07-16 US disclosed
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2024-03-05 US disclosed
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2023-05-30 US disclosed
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 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
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
US-20220105195-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2022-04-07 US disclosed
WO-2013072813-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 WO disclosed
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 US disclosed
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 US disclosed
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 US disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012041805-A1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 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 (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-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 ALDH1A1 2604/4885THRB 3707/4885CYP2C9 4837/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 ALDH1A1 2357/4885THRB 3920/4885CYP2C9 4653/4885
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 ALDH1A1 1223/4885THRB 4258/4885CYP2C9 2025/4885
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR ALDH1A1 2916/4885THRB 474/4885CYP2C9 1286/4885
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 ALDH1A1 1223/4885THRB 4258/4885CYP2C9 2025/4885
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 ALDH1A1 3253/4885THRB 3555/4885CYP2C9 3945/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 ALDH1A1 2357/4885THRB 3920/4885CYP2C9 4653/4885
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer IGF1R, IGFBP1, IGFBP5 ALDH1A1 839/4885THRB 1263/4885CYP2C9 3956/4885
US-12036286-B2 Selective drug release from internalized conjugates of biologically active compounds CTSB, CTSE, CTSZ ALDH1A1 3445/4885THRB 1313/4885CYP2C9 1015/4885
US-20220105195-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 ALDH1A1 982/4885THRB 4458/4885CYP2C9 1488/4885

“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.