SCHEMBL165353

SCHEMBL165353

O=C(Cc1ccccc1)c1nccs1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.66
CES1 P23141 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
RBBP9 O75884 1/20 0.44
CES2 O00748 1/20 0.44
AKR1B1 P15121 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SCN3A Q9NY46 1/20 0.43
POLB P06746 1/20 0.43
PDPK1 O15530 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL2806946 0.91 PLA2G4A (0.56) PLA2G4ACES1SMN1; SMN2NPC1RAB9A
SCHEMBL6177200 0.87 PLA2G4A (0.53) PLA2G4ACES1NPC1RAB9ALMNA
SCHEMBL17371667 0.84 PLA2G4A (0.56) PLA2G4ACES1SMN1; SMN2HPGDALDH1A1
SCHEMBL1953501 0.80 PLA2G4A (1.00) PLA2G4ACES1MAPT
SCHEMBL2161939 0.79 CES1 (1.00) PLA2G4ACES1MAPT
Trifluoroacetic Acid SCHEMBL7448775 0.78 PLA2G4A (0.44) PLA2G4ACES1ALDH1A1
SCHEMBL20196298 0.78 PLA2G4A (0.49) PLA2G4ACES1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9346822 0.78 PLA2G4A (0.49) PLA2G4ACES1SMN1; SMN2NPC1RAB9A
SCHEMBL21598785 0.77 ALDH1A1 (0.47) PLA2G4ACES1SMN1; SMN2NPC1RAB9A
SCHEMBL15921297 0.77 PLA2G4A (0.60) PLA2G4ACES1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006126-A1 Etoposide analogs and methods of use thereof NIH-DEITR 2004-01-08 US claimed
US-6566393-B1 For therapy of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-05-20 US claimed
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-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
EP-1244678-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-10-02 EP disclosed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 US disclosed
WO-2001046206-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO disclosed
EP-1067926-A2 IMMUNOSUPPRESSIVE IMIDAZOLE DERIVATIVES AND THEIR COMBINATION PREPARATIONS WITH TACROLIMUS OR CYCLOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-17 EP disclosed
US-6020495-A Stereoselective method for synthesizing dolaphenine PHARM-ECO LABORATORIES, INC. (US) 2000-02-01 US disclosed
WO-1999051215-A2 IMMUNOSUPPRESSIVE IMIDAZOLE DERIVATIVES AND THEIR COMBINATION PREPARATIONS WITH TACROLIMUS OR CYCLOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO disclosed
EP-0846107-A1 STEREOSELECTIVE METHOD FOR SYNTHESIZING DOLAPHENINE Pharmeco Laboratories, Inc. (US) 1998-06-10 EP disclosed
US-5750713-A Stereoselective method for synthesizing dolaphenine PHARM-ECO LABORATORIES, INC. (US) 1998-05-12 US disclosed
WO-1996039399-A1 STEREOSELECTIVE METHOD FOR SYNTHESIZING DOLAPHENINE PHARM-ECO LABORATORIES, INC. (US) 1996-12-12 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 (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-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PPM1B, PTPRO, PTPA PLA2G4A 801/4885CES1 239/4885SMN1; SMN2 4373/4885
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 PLA2G4A 1319/4885CES1 820/4885SMN1; SMN2 4439/4885
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR PLA2G4A 1800/4885CES1 712/4885SMN1; SMN2 4753/4885
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 PLA2G4A 1319/4885CES1 820/4885SMN1; SMN2 4439/4885
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer IGF1R, IGFBP1, IGFBP5 PLA2G4A 2651/4885CES1 1981/4885SMN1; SMN2 3883/4885
US-20040006126-A1 Etoposide analogs and methods of use thereof LPXN, TET2, TH PLA2G4A 2807/4885CES1 3398/4885SMN1; SMN2 3448/4885
US-20220105195-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 PLA2G4A 1367/4885CES1 993/4885SMN1; SMN2 4595/4885

“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.