SCHEMBL5189409

SCHEMBL5189409

Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
SLC1A3 P43003 1/20 0.57
SLC1A2 P43004 1/20 0.57
SLC1A1 P43005 1/20 0.57
MMP2 P08253 10/20 0.56
MMP9 P14780 9/20 0.56
MMP13 P45452 3/20 0.55
MMP3 P08254 2/20 0.55
MMP1 P03956 2/20 0.52
MMP7 P09237 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
PLAU P00749 1/20 0.49
HPN P05981 1/20 0.49
ADAMTS4 O75173 1/20 0.49
MMP8 P22894 1/20 0.49

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
SCHEMBL4041026 1.00 TDP1 (0.60) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL10967894 1.00 TDP1 (0.60) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL8618283 0.90 SLC1A3 (0.50) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL698843 0.88 TDP1 (0.63) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL4339865 0.88 TDP1 (0.63) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL698842 0.88 TDP1 (0.63) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL8618287 0.87 TDP1 (0.48) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL5191062 0.86 MMP2 (0.63) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL8685172 0.86 MMP2 (0.63) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL3458998 0.86 MMP9 (0.76) TDP1SLC1A3SLC1A2SLC1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1377542-B1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES AMBRILIA BIOPHARMA INC (CA) 2007-08-01 EP disclosed
EP-1803706-A1 HIV protease inhibitors based on amino acid derivatives Ambrilia Biopharma Inc. (CA) 2007-07-04 EP disclosed
US-6677367-B2 LYSINE DERIVATIVE WITH 2-AMINOSULFONYLTHIOPHENE SUBSTITUENT; ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS) VIRICIDES PHARMACOR INC. (CA) 2004-01-13 US disclosed
EP-1377542-A1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES Pharmacor Inc. (CA) 2004-01-07 EP disclosed
US-6656965-B2 In particular N-epsilon-amino acid substituted L-lysine derivatives possessing aspartyl protease inhibitory properties. PHARMACOR INC. (CA) 2003-12-02 US disclosed
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-10-16 US disclosed
US-6610689-B2 Viricides PHARMACOR INC. (CA) 2003-08-26 US disclosed
US-6608100-B1 N-epsilon-amino acid substituted L-lysine sulfonamide derivatives possessing aspartyl protease inhibitory properties PHARMACOR INC. (CA) 2003-08-19 US disclosed
US-20030144265-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-07-31 US disclosed
US-20030119803-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-06-26 US disclosed
US-6506786-B2 Such as N-isobutyl-N-(4-methylbenzene-sulfonyl)-N-(N-(4-methylbenzenesulfonyl)-L -phenylalanyl)-L-lysine PHARMACOR INC. (CA) 2003-01-14 US disclosed
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2002-10-17 US disclosed
WO-2002064551-A1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES PHARMACOR INC. (CA) 2002-08-22 WO disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0057572-B1 ALKANOLAMINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-31 EP disclosed
US-4399138-A DIURETICS, ADRENERGIC BLOCKING AND HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-16 US disclosed
EP-0057572-A1 Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-08-11 EP 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 (4 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-20030144265-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TDP1 3179/4885SLC1A3 139/4885SLC1A2 291/4885
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TDP1 3179/4885SLC1A3 139/4885SLC1A2 291/4885
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TDP1 3179/4885SLC1A3 139/4885SLC1A2 291/4885
US-20030119803-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TDP1 3179/4885SLC1A3 139/4885SLC1A2 291/4885

“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.