SCHEMBL2007673

SCHEMBL2007673

COC(=O)c1ccc2c(c1)SCc1ccccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.57
▸ MAPK14 Q16539 3/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTPRC P08575 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CDC25B P30305 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTPRF P10586 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ TRPA1 O75762 3/20 0.40

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
SCHEMBL11663201 0.85 AKR1B1 (0.61) AKR1B1MAPK14ALDH1A1SMN1; SMN2PDK2
SCHEMBL8880119 0.84 AKR1B1 (0.66) AKR1B1MAPK14LMNAPOLBPTPRC
SCHEMBL11567084 0.83 AKR1B1 (0.54) AKR1B1MAPK14ALDH1A1SMN1; SMN2PTPRC
SCHEMBL11569877 0.83 AKR1B1 (0.61) AKR1B1MAPK14ALDH1A1PTPRCL3MBTL1
SCHEMBL11566798 0.82 AKR1B1 (0.52) AKR1B1MAPK14ALDH1A1LMNAPOLB
SCHEMBL8137823 0.81 ALDH1A1 (0.40) AKR1B1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL8142034 0.80 SRD5A1 (0.56) MAPK14ALDH1A1PTPRCKDM4EHPGD
SCHEMBL11566471 0.80 AKR1B1 (0.60) AKR1B1MAPK14ALDH1A1KDM4ETRPA1
SCHEMBL11754579 0.80 AKR1B1 (0.60) AKR1B1MAPK14PTPRC
SCHEMBL11824727 0.79 AKR1B1 (0.74) AKR1B1MAPK14ALDH1A1SMN1; SMN2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 — — US disclosed
US-8163730-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-04-24 — — US disclosed
US-7964631-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-α PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 — — US disclosed
US-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-23 — — US disclosed
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-02 — — US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 — — US disclosed
US-7834052-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 — — US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 — — US disclosed
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 — — US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 — — US disclosed
EP-1812420-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS Nicholas Piramal India Limited (IN) 2007-08-01 — — EP disclosed
EP-1812419-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA Nicholas Piramal India Limited (IN) 2007-08-01 — — EP disclosed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 — — WO disclosed
WO-2006051477-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 — — WO disclosed
EP-0549352-B1 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO KK (JP) 2000-03-01 — — EP disclosed
US-5478840-A Imidazo(4,5-b)pyridine derivatives used as antagonism to angiotensin ii receptors KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 — — US disclosed
US-5378701-A Angiotensin II inhibitors; hypotensive agents; congestive heart and kidney failure; glaucoma KYOWA HAKKO KOGYO (JP) 1995-01-03 — — US disclosed
EP-0549352-A2 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-30 — — 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 (5 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-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 AKR1B1 389/4885MAPK14 2429/4885ALDH1A1 3478/4885
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha CD40, TNFRSF1A, OXER1 AKR1B1 421/4885MAPK14 2600/4885ALDH1A1 3592/4885
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 AKR1B1 123/4885MAPK14 2826/4885ALDH1A1 1222/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 AKR1B1 123/4885MAPK14 2826/4885ALDH1A1 1222/4885
US-20100305094-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 AKR1B1 421/4885MAPK14 2600/4885ALDH1A1 3592/4885

“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.

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