SCHEMBL12964166

SCHEMBL12964166

CC(=O)c1cccc(N2C(=O)CC(C)C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ADAM17 P78536 1/20 0.49
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.45
ALOX5 P09917 3/20 0.45
MT-CO2 P00403 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL822035 0.85 ALDH1A1 (0.49) ALDH1A1MAPTGAAL3MBTL1KMT2A
SCHEMBL20796167 0.84 ADAM17 (0.70) LMNATSHRALDH1A1ADAM17PKM
SCHEMBL12252783 0.82 LMNA (0.52) LMNATSHRALDH1A1ADAM17MAPT
SCHEMBL25773657 0.82 ADAM17 (0.70) ALDH1A1ADAM17MAPTHPGDTDP1
SCHEMBL13754336 0.80 ALOX5 (0.54) LMNATSHRALDH1A1ADAM17PKM
SCHEMBL13884938 0.79 ALDH1A1 (0.62) TSHRALDH1A1MAPTHPGDPKM
SCHEMBL13709052 0.79 L3MBTL1 (0.56) ALDH1A1MAPTGAAALOX5MT-CO2
SCHEMBL10082605 0.79 ALDH1A1 (0.60) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL8312798 0.76 MEN1 (0.52) LMNATSHRALDH1A1GAAPOLB
SCHEMBL3485977 0.76 ALDH1A1 (0.58) LMNAALDH1A1MAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
WO-2023097249-A2 COMPOSITIONS AND METHODS FOR DNA BINDING AND TRANSCRIPTIONAL REGULATION THE UNIVERSITY OF CHICAGO (US) 2023-06-01 WO disclosed
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma AG (DE) 2018-07-05 US disclosed
US-20180169256-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-21 US disclosed
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 US disclosed
EP-2686019-B1 CONJUGATED MOLECULES COMPRISING A PEPTIDE DERIVED FROM THE CD4 RECEPTOR COUPLED TO A POLYANIONIC POLYPEPTIDE FOR THE TREATMENT OF AIDS PASTEUR INSTITUT (FR) 2017-03-01 EP disclosed
US-20160354483-A1 COMPOUNDS, CONJUGATES AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-08 US disclosed
EP-2249873-B1 CONJUGATED MOLECULES COMPRISING A PEPTIDE DERIVED FROM THE CD4 RECEPTOR COUPLED TO A POLYANION FOR THE TREATMENT OF AIDS PASTEUR INSTITUT (FR) 2016-11-16 EP disclosed
US-9353150-B2 Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]-indole-1,4-diones for cancer treatment MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-05-31 US disclosed
US-20140187500-A1 COMPOUNDS, CONJUGATES AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-07-03 US disclosed
EP-2505210-A1 Conjugated molecules comprising a peptide derived from the CD4 receptor coupled to a polyanionic polypeptide for the treatment of aids INSTITUT PASTEUR (FR) 2012-10-03 EP disclosed
US-20090041791-A1 Heterocyclic self-immolative Linkers and Conjugates SEAGEN INC. 2009-02-12 US disclosed
US-7232805-B2 Cobalamin conjugates for anti-tumor therapy INFLABLOC PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232805-B2 Cobalamin conjugates for anti-tumor therapy INFLABLOC PHARMACEUTICALS, INC. (US) 2007-06-19 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 (7 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-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BUB1B, KIF5B, TK1 LMNA 552/4885TSHR 4701/4885ALDH1A1 1427/4885
US-20140187500-A1 COMPOUNDS, CONJUGATES AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES DNPEP, NPEPPS, PIN1 LMNA 3893/4885TSHR 1676/4885ALDH1A1 3277/4885
US-20090041791-A1 Heterocyclic self-immolative Linkers and Conjugates CTSL, DNPEP, CTSE LMNA 1891/4885TSHR 2750/4885ALDH1A1 2008/4885
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES KIF23, KIF5B, KIF2C LMNA 4388/4885TSHR 3868/4885ALDH1A1 1644/4885
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES TNFSF11, TNFRSF9, CD40 LMNA 4099/4885TSHR 2038/4885ALDH1A1 2346/4885
US-20180169256-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS KIFC1, KIF2C, KIF5B LMNA 2730/4885TSHR 4525/4885ALDH1A1 499/4885
US-20160354483-A1 COMPOUNDS, CONJUGATES AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES DNPEP, NPEPPS, PIN1 LMNA 3893/4885TSHR 1676/4885ALDH1A1 3277/4885

“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.