SCHEMBL5189158

SCHEMBL5189158

Cc1ccc(S(=O)(=O)O)c(C(C)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.42
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
HRH1 P35367 2/20 0.42
LMNA P02545 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM4 P08173 1/20 0.42
KCNE1 P15382 1/20 0.42
PTGS1 P23219 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNH2 Q12809 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
SCHEMBL30716899 0.87 LMNA (0.38) ATML3MBTL1MAPTCHRM1LMNA
SCHEMBL28934800 0.85 KMT2A (0.40) MAPTLMNAHPGDKMT2AHSD17B10
SCHEMBL29268630 0.85 IDO1 (0.39) CYP2D6POLB
SCHEMBL28880210 0.82 ACLY (0.35) L3MBTL1MAPTCHRM1LMNAADRA1A
SCHEMBL9101762 0.82 TYR (0.43) MAPTLMNATYRHPGDALDH1A1
SCHEMBL10560063 0.81 TSHR (0.48) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL30666645 0.80 LMNA (0.38) L3MBTL1MAPTCHRM1LMNAADRA1A
SCHEMBL9101570 0.80 LMNA (0.38) L3MBTL1MAPTCHRM1LMNAADRA1A
SCHEMBL531432 0.80 LMNA (0.47) L3MBTL1MAPTCHRM1LMNAADRA1A
SCHEMBL30667146 0.80 LMNA (0.38) L3MBTL1MAPTCHRM1LMNAADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126339-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-02-08 EP disclosed
WO-2015150363-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO 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-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 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 (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 ATM 3061/4885L3MBTL1 2747/4885MAPT 2981/4885
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 ATM 3061/4885L3MBTL1 2747/4885MAPT 2981/4885
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 ATM 3061/4885L3MBTL1 2747/4885MAPT 2981/4885
US-20030119803-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 ATM 3061/4885L3MBTL1 2747/4885MAPT 2981/4885

“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.