SCHEMBL662854

SCHEMBL662854

CSCCCOS(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
USP2 O75604 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MMP9 P14780 1/20 0.64
ALOX15 P16050 1/20 0.64
CA1 P00915 17/20 0.33
CA2 P00918 17/20 0.33
CA9 Q16790 15/20 0.33
CA12 O43570 5/20 0.32
CA7 P43166 5/20 0.32
CA14 Q9ULX7 5/20 0.32
CA3 P07451 4/20 0.32
CA4 P22748 4/20 0.32
CA6 P23280 4/20 0.32
CA5A P35218 4/20 0.32
CA5B Q9Y2D0 4/20 0.32
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2078198 0.93 TSHR (0.68) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL6582696 0.85
SCHEMBL576408 0.79 TSHR (0.88) TSHRUSP2KDM4EALDH1A1LMNA
Busulfan SCHEMBL4764696 0.79 TSHR (1.00) TSHRUSP2KDM4EALDH1A1LMNA
Busulfan SCHEMBL4373 0.79 TSHR (1.00) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL4298840 0.76 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL4952202 0.76 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL1335477 0.76 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL8592211 0.76 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA
Busulfan SCHEMBL7195165 0.76 TSHR (0.94) TSHRUSP2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118594777-A Beneficiation reagent for recycling copper from magnetic iron ore tailings and preparation method thereof 西北矿冶研究院 2024-09-06 CN disclosed
CN-107849037-B Tricyclic 4-pyridone-3-carboxylic acid derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2020-04-17 CN disclosed
US-10336751-B2 Tricyclic 4-pyridone-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-07-02 US disclosed
US-10336751-B2 Tricyclic 4-pyridone-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-07-02 US disclosed
EP-3325477-B1 NOVEL TRICYCLIC 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-05-01 EP disclosed
EP-3256471-B1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-12-12 EP disclosed
US-10093671-B2 2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-10-09 US disclosed
EP-3325477-A1 NOVEL TRICYCLIC 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-05-30 EP disclosed
US-20180134705-A1 NOVEL TRICYCLIC 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-05-17 US disclosed
EP-3256471-A1 NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-12-20 EP disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-7429598-B2 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2008-09-30 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
EP-1778653-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
WO-2006022794-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2006-03-02 WO disclosed
US-20040106631-A1 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY LLC 2004-06-03 US disclosed
EP-1400244-A1 New spirocondensed quinazolinones and their use as phosphodiesterase inhibitors Warner-Lambert Company LLC (US) 2004-03-24 EP disclosed
US-20030229113-A1 Keratinocyte growth inhibitors and hydroxamic acid derivatives AKZO NOBEL N.V. (NL) 2003-12-11 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 (6 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-20030229113-A1 Keratinocyte growth inhibitors and hydroxamic acid derivatives FGF1, FGF2, EGFR TSHR 1655/4885USP2 3217/4885KDM4E 1263/4885
US-20040106631-A1 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors PDE3A, PDE5A, PDE3B TSHR 3153/4885USP2 3775/4885KDM4E 2817/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT TSHR 3553/4885USP2 3224/4885KDM4E 3615/4885
US-10093671-B2 2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP2A6 TSHR 2057/4885USP2 2530/4885KDM4E 2436/4885
US-20180134705-A1 NOVEL TRICYCLIC 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2B6, CYP7A1 TSHR 1695/4885USP2 3354/4885KDM4E 2062/4885
US-10336751-B2 Tricyclic 4-pyridone-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection CYP2B6, CYP7A1, HAVCR2 TSHR 1626/4885USP2 3554/4885KDM4E 2220/4885

“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.